# cl_id

cas: 93857-46-6
formula: C14H6F25O4P.2H3N
inchikey: XZJXCSDVEJUEAJ-UHFFFAOYSA-N
norman_susdat_id: NS00091581
name:
Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl phosphate

inchi:
InChI=1/C14H6F25O4P.2H3N/c15-3(16,1-2-43-44(40,41)42)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39;;/h1-2H2,(H2,40,41,42);2*1H3

smiles:
[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 93857-47-7
formula: C16H6F29O4P.2H3N
inchikey: MJHYQOMQQBZWGU-UHFFFAOYSA-N
norman_susdat_id: NS00092316
name:
Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl phosphate

inchi:
InChI=1/C16H6F29O4P.2H3N/c17-3(18,1-2-49-50(46,47)48)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45;;/h1-2H2,(H2,46,47,48);2*1H3

smiles:
[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 93857-48-8
formula: C18H6F33O4P.2H3N
inchikey: VYOMBRAEBXFKCI-UHFFFAOYSA-N
norman_susdat_id: NS00092317
name:
Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl phosphate

inchi:
InChI=1/C18H6F33O4P.2H3N/c19-3(20,1-2-55-56(52,53)54)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)51;;/h1-2H2,(H2,52,53,54);2*1H3

smiles:
[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl phosphate
cas: 93857-49-9
formula: C11H6F19O4P.2H3N
inchikey: HCQGYUVUXSAUDM-UHFFFAOYSA-N
norman_susdat_id: NS00091582
smiles: [NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C11H6F19O4P.2H3N/c12-3(13,1-2-34-35(31,32)33)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30;;/h1-2H2,(H2,31,32,33);2*1H3


cas: 93857-50-2
formula: C13H6F23O4P.2H3N
inchikey: DEUIIZYVEDWQCF-UHFFFAOYSA-N
norman_susdat_id: NS00091398
name:
Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl phosphate

inchi:
InChI=1/C13H6F23O4P.2H3N/c14-3(15,1-2-40-41(37,38)39)5(17,18)7(21,22)9(25,26)11(29,30)10(27,28)8(23,24)6(19,20)4(16,12(31,32)33)13(34,35)36;;/h1-2H2,(H2,37,38,39);2*1H3

smiles:
[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 93857-51-3
formula: C15H6F27O4P.2H3N
inchikey: ARRIVQGBPVGHMV-UHFFFAOYSA-N
norman_susdat_id: NS00091399
name:
Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl phosphate

inchi:
InChI=1/C15H6F27O4P.2H3N/c16-3(17,1-2-46-47(43,44)45)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)12(33,34)10(29,30)8(25,26)6(21,22)4(18,14(37,38)39)15(40,41)42;;/h1-2H2,(H2,43,44,45);2*1H3

smiles:
[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 93857-52-4
formula: C17H6F31O4P.2H3N
inchikey: MRVZZWAFWXEGFD-UHFFFAOYSA-N
norman_susdat_id: NS00091283
name:
Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl phosphate

inchi:
InChI=1/C17H6F31O4P.2H3N/c18-3(19,1-2-52-53(49,50)51)5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)14(39,40)12(35,36)10(31,32)8(27,28)6(23,24)4(20,16(43,44)45)17(46,47)48;;/h1-2H2,(H2,49,50,51);2*1H3

smiles:
[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


name: Bis((perfluorotetradecyl)ethyl) hydrogen phosphate
cas: 93857-53-5
chemspiderid: 2288840
dtxsid: DTXSID80881112
formula: C32H9F58O4P1
inchikey: VAPDLYGIEFOUOV-UHFFFAOYSA-N
norman_susdat_id: NS00011041
pubchem_cid: 3022289
inchi:
InChI=1S/C32H9F58O4P/c33-5(34,7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)25(73,74)27(77,78)29(81,82)31(85,86)87)1-3-93-95(91,92)94-4-2-6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(71,72)26(75,76)28(79,80)30(83,84)32(88,89)90/h1-4H2,(H,91,92)

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CO[P](OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(O)=O


name: Bis((perfluorohexadecyl)ethyl) hydrogen phosphate
cas: 93857-54-6
chemspiderid: 2288814
dtxsid: DTXSID40881113
formula: C36H9F66O4P1
inchikey: UWTYLCUAYINOEF-UHFFFAOYSA-N
norman_susdat_id: NS00011043
pubchem_cid: 3022259
inchi:
InChI=1S/C36H9F66O4P/c37-5(38,7(41,42)9(45,46)11(49,50)13(53,54)15(57,58)17(61,62)19(65,66)21(69,70)23(73,74)25(77,78)27(81,82)29(85,86)31(89,90)33(93,94)35(97,98)99)1-3-105-107(103,104)106-4-2-6(39,40)8(43,44)10(47,48)12(51,52)14(55,56)16(59,60)18(63,64)20(67,68)22(71,72)24(75,76)26(79,80)28(83,84)30(87,88)32(91,92)34(95,96)36(100,101)102/h1-4H2,(H,103,104)

smiles:
C(O[P](OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(=O)O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Bis((perfluoro-9-methyldecyl)ethyl) phosphate
cas: 93857-55-7
chemspiderid: 4896819
dtxsid: DTXSID00881114
formula: C26H9F46O4P1
inchikey: PIWWVQNNYGQYGW-UHFFFAOYSA-M
norman_susdat_id: NS00011038
pubchem_cid: 6366266
inchi:
InChI=1S/C26H9F46O4P/c27-5(28,9(33,34)13(41,42)17(49,50)21(57,58)19(53,54)15(45,46)11(37,38)7(31,23(61,62)63)24(64,65)66)1-3-75-77(73,74)76-4-2-6(29,30)10(35,36)14(43,44)18(51,52)22(59,60)20(55,56)16(47,48)12(39,40)8(32,25(67,68)69)26(70,71)72/h1-4H2,(H,73,74)/p-1

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CO[P](OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)([O-])=O


name: Bis((perfluoro-11-methyldodecyl)ethyl) hydrogen phosphate
cas: 93857-56-8
chemspiderid: 2288820
dtxsid: DTXSID60881115
formula: C30H9F54O4P1
inchikey: ICJWISPFZMNUHE-UHFFFAOYSA-N
norman_susdat_id: NS00011040
pubchem_cid: 3022265
inchi:
InChI=1S/C30H9F54O4P/c31-5(32,9(37,38)13(45,46)17(53,54)21(61,62)25(69,70)23(65,66)19(57,58)15(49,50)11(41,42)7(35,27(73,74)75)28(76,77)78)1-3-87-89(85,86)88-4-2-6(33,34)10(39,40)14(47,48)18(55,56)22(63,64)26(71,72)24(67,68)20(59,60)16(51,52)12(43,44)8(36,29(79,80)81)30(82,83)84/h1-4H2,(H,85,86)

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CO[P](OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(O)=O


cas: 93857-57-9
formula: C36H30N8O10S2
inchikey: YDTFBJNETWMJPS-UHFFFAOYSA-L
norman_susdat_id: NS00063161
pubchem_cid: NA
name:
Disodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H30N8O10S2.2Na/c1-53-28-14-19(8-11-26(28)41-40-25-13-10-23(45)18-24(25)37)20-9-12-27(29(15-20)54-2)42-43-34-30(55(47,48)49)16-21-17-31(56(50,51)52)35(36(46)32(21)33(34)38)44-39-22-6-4-3-5-7-22;;/h3-18,45-46H,37-38H2,1-2H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3OC)C=4C=CC(N=NC5=CC=C(O)C=C5N)=C(OC)C4)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


cas: 93857-59-1
formula: C35H28N6O16S4
inchikey: CRUNAGYCNFHYJX-UHFFFAOYSA-L
norman_susdat_id: NS00062727
pubchem_cid: 136192417
name:
2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(4-sulfophenyl)azo]-, disodium salt, compd. with 2,2'-iminobis[ethanol] (1:2)

inchi:
InChI=1/C35H28N6O16S4.2C4H11NO2.2Na/c1-17-11-26(27(57-2)16-28(17)59(48,49)50)39-41-32-30(61(54,55)56)15-19-13-22(6-10-25(19)34(32)43)37-35(44)36-21-5-9-24-18(12-21)14-29(60(51,52)53)31(33(24)42)40-38-20-3-7-23(8-4-20)58(45,46)47;2*6-3-1-5-2-4-7;;/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);2*5-7H,1-4H2;;/q;;;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC2=C(O)C(N=NC3=CC=C(C=C3)S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)[O-])NC=4C=CC5=C(O)C(N=NC=6C=C(C(=CC6OC)S(=O)(=O)[O-])C)=C(C=C5C4)S(=O)(=O)O.OCCNCCO.OCCNCCO


cas: 93857-60-4
formula: C37H28N10O10S2
inchikey: CGERCXKIXPEQOB-VJYLTYOASA-M
norman_susdat_id: NS00064205
pubchem_cid: NA
name:
Trisodium N-[4-[[2-[4-[[1-amino-8-hydroxy-7-(phenylazo)-3,6-disulpho-2-naphthyl]azo]phenyl]-1H-benzimidazol-5-yl]azo]-3-hydroxyphenyl]glycinate

inchi:
InChI=1/C37H28N10O10S2.3Na/c38-33-32-20(15-30(59(55,56)57)35(36(32)51)47-42-21-4-2-1-3-5-21)14-29(58(52,53)54)34(33)46-43-22-8-6-19(7-9-22)37-40-25-12-11-24(16-27(25)41-37)44-45-26-13-10-23(17-28(26)48)39-18-31(49)50;;;/h1-17,39,48,51H,18,38H2,(H,40,41)(H,49,50)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-1

smiles:
[Na+].[Na+].[Na+].O=C([O-])CNC1=CC=C(N=NC2=CC=C3N=C(NC3=C2)C=4C=CC(N=NC=5C(N)=C6C(O)=C(N=NC=7C=CC=CC7)C(=CC6=CC5S(=O)(=O)O)S(=O)(=O)O)=CC4)C(O)=C1


cas: 93857-61-5
formula: C37H28N10O10S2.3Na
inchikey: RBRGWRDCHPZOKB-UHFFFAOYSA-K
norman_susdat_id: NS00091284
name:
Trisodium N-[2-[[2-[4-[[1-amino-8-hydroxy-7-(phenylazo)-3,6-disulphonato-2-naphthyl]azo]phenyl]-1H-benzimidazol-5-yl]azo]-5-hydroxyphenyl]glycinate

inchi:
InChI=1/C37H28N10O10S2.3Na/c38-33-32-20(15-30(59(55,56)57)35(36(32)51)47-42-21-4-2-1-3-5-21)14-29(58(52,53)54)34(33)46-43-22-8-6-19(7-9-22)37-40-25-12-10-23(16-28(25)41-37)44-45-26-13-11-24(48)17-27(26)39-18-31(49)50;;;/h1-17,39,48,51H,18,38H2,(H,40,41)(H,49,50)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(O)cc6NCC([O-])=O)S([O-])(=O)=O


cas: 93857-65-9
dtxsid: DTXSID20917444
formula: C36H20N4O10S2
inchikey: CPPOWHALLKHACP-UHFFFAOYSA-L
norman_susdat_id: NS00063163
pubchem_cid: 15375008
name:
Disodium 3,3'-(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)bis[6-aminobenzenesulphonate]

inchi:
InChI=1/C36H20N4O10S2.2Na/c37-25-11-1-15(13-27(25)51(45,46)47)39-33(41)21-7-3-17-19-5-9-23-32-24(10-6-20(30(19)32)18-4-8-22(34(39)42)31(21)29(17)18)36(44)40(35(23)43)16-2-12-26(38)28(14-16)52(48,49)50;;/h1-14H,37-38H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C2=CC=C3C4=CC=C5C(=O)N(C(=O)C6=CC=C(C=7C=CC(C(=O)N1C8=CC=C(N)C(=C8)S(=O)(=O)[O-])=C2C37)C4=C56)C9=CC=C(N)C(=C9)S(=O)(=O)[O-]


cas: 93857-66-0
formula: C17H15N5O9S2
inchikey: OPQXHWKJVBHGMN-UHFFFAOYSA-K
norman_susdat_id: NS00064206
pubchem_cid: 11971150
smiles: [Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC=2C=CC=CC2S(=O)(=O)[O-])C3=CC(N)=CC(=C3C)S(=O)(=O)[O-]
name:
Trisodium 1-(5-amino-2-methyl-3-sulphonatophenyl)-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C17H15N5O9S2.3Na/c1-8-11(6-9(18)7-13(8)33(29,30)31)22-16(23)14(15(21-22)17(24)25)20-19-10-4-2-3-5-12(10)32(26,27)28;;;/h2-7,14H,18H2,1H3,(H,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3


cas: 93857-67-1
formula: C23H25Cl2N4.I
inchikey: MZJLCNAJVFPGQH-UHFFFAOYSA-N
norman_susdat_id: NS00092024
smiles: [I-].CC[NH+]4c1ccc(Cl)cc1N(C)C4C=CC=C3N(C)c2cc(Cl)ccc2N3CC
name:
5-chloro-2-[3-(5-chloro-1-ethyl-1,3-dihydro-3-methyl-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-3-methyl-1H-benzimidazolium iodide

inchi:
InChI=1/C23H26Cl2N4.HI/c1-5-28-18-12-10-16(24)14-20(18)26(3)22(28)8-7-9-23-27(4)21-15-17(25)11-13-19(21)29(23)6-2;/h7-15,22H,5-6H2,1-4H3;1H


cas: 93857-68-2
dtxsid: DTXSID00917442
formula: C23H26Cl2N4
inchikey: AAJPHVOVTVIBSS-UHFFFAOYSA-N
norman_susdat_id: NS00063164
pubchem_cid: 3022672
smiles: [Cl-].ClC1=CC=C2C(=C1)N(C(=CC=CC3N(C4=CC(Cl)=CC=C4[NH+]3CC)C)N2CC)C
name:
5-chloro-2-[3-(5-chloro-1-ethyl-1,3-dihydro-3-methyl-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-3-methyl-1H-benzimidazolium chloride

inchi:
InChI=1/C23H26Cl2N4.ClH/c1-5-28-18-12-10-16(24)14-20(18)26(3)22(28)8-7-9-23-27(4)21-15-17(25)11-13-19(21)29(23)6-2;/h7-15,22H,5-6H2,1-4H3;1H


name: Ethyl 2-[(2,4-dichloro-6-sulphophenyl)azo]-3-oxoicosanoate
cas: 93857-69-3
formula: C28H44Cl2N2O6S
inchikey: GQDIVMMZRYJYGZ-UHFFFAOYSA-N
norman_susdat_id: NS00062971
pubchem_cid: 3022673
smiles: O=C(OCC)C(N=NC=1C(Cl)=CC(Cl)=CC1S(=O)(=O)O)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H44Cl2N2O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(33)27(28(34)38-4-2)32-31-26-23(30)20-22(29)21-25(26)39(35,36)37/h20-21,27H,3-19H2,1-2H3,(H,35,36,37)


cas: 93857-70-6
formula: C28H34N2O4SSe2
inchi: -
inchikey: SMNNTVJXVKIOBS-UHFFFAOYSA-N
norman_susdat_id: NS00091528
smiles: [O-]S(=O)(=O)CCC[n+]3c4cc(C)c(OC)cc4[se]c3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CC
name:
2-[2-[(3-ethyl-5,6-dimethyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-3-(3-sulphonatopropyl)benzoselenazolium


cas: 93857-74-0
dtxsid: DTXSID40917441
formula: C30H22Cl2N6O9S2
inchikey: BRTGKAYUBYKCAY-UHFFFAOYSA-N
norman_susdat_id: NS00063747
pubchem_cid: NA
name:
6-amino-5-[[4-[[4-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]benzoyl]amino]-2-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid

inchi:
InChI=1/C30H22Cl2N6O9S2/c31-21-8-6-18(12-22(21)32)36-30(41)35-17-4-1-15(2-5-17)29(40)34-19-7-10-24(26(13-19)49(45,46)47)37-38-28-23(33)9-3-16-11-20(48(42,43)44)14-25(39)27(16)28/h1-14,39H,33H2,(H,34,40)(H2,35,36,41)(H,42,43,44)(H,45,46,47)

smiles:
O=C(NC1=CC=C(C=C1)C(=O)NC2=CC=C(N=NC3=C(N)C=CC4=CC(=CC(O)=C43)S(=O)(=O)O)C(=C2)S(=O)(=O)O)NC5=CC=C(Cl)C(Cl)=C5


cas: 93857-75-1
formula: C48H34N8O14S2
inchikey: HOQCLWQSPIGQDI-UHFFFAOYSA-N
norman_susdat_id: NS00063748
pubchem_cid: NA
name:
4,4'-[1,4-phenylenebis[carbonylimino[6-[(4-sulpho-1-naphthyl)azo]-3,1-phenylene]imino]]bis[4-oxo-2-butenoic] acid

inchi:
InChI=1/C48H34N8O14S2/c57-43(21-23-45(59)60)51-39-25-29(13-15-37(39)55-53-35-17-19-41(71(65,66)67)33-7-3-1-5-31(33)35)49-47(63)27-9-11-28(12-10-27)48(64)50-30-14-16-38(40(26-30)52-44(58)22-24-46(61)62)56-54-36-18-20-42(72(68,69)70)34-8-4-2-6-32(34)36/h1-26H,(H,49,63)(H,50,64)(H,51,57)(H,52,58)(H,59,60)(H,61,62)(H,65,66,67)(H,68,69,70)

smiles:
O=C(O)C=CC(=O)NC1=CC(=CC=C1N=NC2=CC=C(C=3C=CC=CC23)S(=O)(=O)O)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(N=NC6=CC=C(C=7C=CC=CC67)S(=O)(=O)O)C(=C5)NC(=O)C=CC(=O)O


cas: 93857-77-3
formula: C28H35N2O6S4
inchikey: MMYHQGYVEKISBP-UHFFFAOYSA-N
norman_susdat_id: NS00063749
pubchem_cid: NA
name:
Hydrogen 6-methyl-2-[2-methyl-3-[6-methyl-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium, compound with pyridine (1:1)

inchi:
InChI=1/C28H34N2O6S4.C5H5N.H2/c1-20-8-10-23-25(16-20)37-27(29(23)12-4-6-14-39(31,32)33)18-22(3)19-28-30(13-5-7-15-40(34,35)36)24-11-9-21(2)17-26(24)38-28;1-2-4-6-5-3-1;/h8-11,16-19H,4-7,12-15H2,1-3H3,(H-,31,32,33,34,35,36);1-5H;1H/q;;+1/p-1

smiles:
[H+].O=S(=O)([O-])CCCCN1C(SC2=CC(=CC=C21)C)=CC(=CC=3SC=4C=C(C=CC4[N+]3CCCCS(=O)(=O)[O-])C)C.N=1C=CC=CC1


cas: 93857-79-5
formula: C28H35N2O6S4
inchikey: QTVJUSDJWRWEPW-UHFFFAOYSA-N
norman_susdat_id: NS00063750
pubchem_cid: 102267707
name:
Hydrogen 6-methyl-2-[2-methyl-3-[6-methyl-3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium, compound with pyridine (1:1)

inchi:
InChI=1/C28H34N2O6S4.C5H5N.H2/c1-18-6-8-23-25(14-18)37-27(29(23)12-10-21(4)39(31,32)33)16-20(3)17-28-30(13-11-22(5)40(34,35)36)24-9-7-19(2)15-26(24)38-28;1-2-4-6-5-3-1;/h6-9,14-17,21-22H,10-13H2,1-5H3,(H-,31,32,33,34,35,36);1-5H;1H/q;;+1/p-1

smiles:
[H+].O=S(=O)([O-])C(C)CCN1C(SC2=CC(=CC=C21)C)=CC(=CC=3SC=4C=C(C=CC4[N+]3CCC(C)S(=O)(=O)[O-])C)C.N=1C=CC=CC1


cas: 93857-80-8
formula: C21H25N3O5S4
inchikey: OTOGCONQRAYBMC-UHFFFAOYSA-N
norman_susdat_id: NS00062266
pubchem_cid: 57356178
smiles: O=C(O)CN1C(=O)C(SC1=S)=C(OCC)C=C2SC(=CC=C3SCCN3CC)C(=O)N2CC
name:
5-[1-ethoxy-2-[3-ethyl-5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid

inchi:
InChI=1/C21H25N3O5S4/c1-4-22-9-10-31-15(22)8-7-14-19(27)23(5-2)16(32-14)11-13(29-6-3)18-20(28)24(12-17(25)26)21(30)33-18/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,25,26)


cas: 93857-81-9
formula: C17H19N3O4S4
inchikey: ICKCVZCUTGPMSI-UHFFFAOYSA-N
norman_susdat_id: NS00063751
pubchem_cid: 57356179
smiles: O=C(O)CN1C(=O)C(SC1=S)=C2SC(=CC=C3SCCN3CC)C(=O)N2CC
name:
5-[3-ethyl-5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid

inchi:
InChI=1/C17H19N3O4S4/c1-3-18-7-8-26-11(18)6-5-10-14(23)19(4-2)16(27-10)13-15(24)20(9-12(21)22)17(25)28-13/h5-6H,3-4,7-9H2,1-2H3,(H,21,22)


cas: 93857-83-1
formula: C31H32N3O2S
inchikey: QOOKWYZFPLVVRK-UHFFFAOYSA-M
norman_susdat_id: NS00062744
pubchem_cid: NA
smiles: O=C1C(SC(=CC=2OC=3C=C(C(=CC3[N+]2CC)C)C)N1CC=C)=CC=C4C=CN(C=5C=CC=CC45)CC.O=S(=O)([O-])OCC
name:
Ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate

inchi:
InChI=1/C31H32N3O2S.C2H6O4S/c1-6-16-34-30(20-29-33(8-3)26-18-21(4)22(5)19-27(26)36-29)37-28(31(34)35)14-13-23-15-17-32(7-2)25-12-10-9-11-24(23)25;1-2-6-7(3,4)5/h6,9-15,17-20H,1,7-8,16H2,2-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 93857-84-2
formula: C37H36N3O4S4
inchikey: GWKKNZAGOAPRDB-UHFFFAOYSA-N
norman_susdat_id: NS00063767
pubchem_cid: NA
smiles: O=C1C(SC(C=C2SC(C=3C=CC=CC3)=C(C=4C=CC=CC4)N2CCCCS(=O)(=O)[O-])=[N+]1CC=C)=CC=C5SC=6C=CC=CC6N5CC
name:
3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxothiazolium

inchi:
InChI=1/C37H35N3O4S4/c1-3-23-40-34(46-31(37(40)41)21-22-32-38(4-2)29-19-11-12-20-30(29)45-32)26-33-39(24-13-14-25-48(42,43)44)35(27-15-7-5-8-16-27)36(47-33)28-17-9-6-10-18-28/h3,5-12,15-22,26H,1,4,13-14,23-25H2,2H3


cas: 93857-85-3
formula: C39H38N3O4S3
inchikey: NGFPKWMJFUXGDD-UHFFFAOYSA-N
norman_susdat_id: NS00062745
pubchem_cid: NA
name:
3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium

inchi:
InChI=1/C39H37N3O4S3/c1-3-24-42-36(47-34(39(42)43)22-21-29-23-26-40(4-2)33-20-12-11-19-32(29)33)28-35-41(25-13-14-27-49(44,45)46)37(30-15-7-5-8-16-30)38(48-35)31-17-9-6-10-18-31/h3,5-12,15-23,26,28H,1,4,13-14,24-25,27H2,2H3

smiles:
O=C1C(SC(C=C2SC(C=3C=CC=CC3)=C(C=4C=CC=CC4)N2CCCCS(=O)(=O)[O-])=[N+]1CC=C)=CC=C5C=CN(C=6C=CC=CC56)CC


cas: 93857-86-4
formula: C38H38N3O4S3
inchikey: OVDBZLXPSPWOBD-UHFFFAOYSA-N
norman_susdat_id: NS00062746
pubchem_cid: NA
smiles: O=C1C(SC(C=C2SC(C=3C=CC=CC3)=C(C=4C=CC=CC4)N2CCCCS(=O)(=O)[O-])=[N+]1CC)=CC=C5C=CN(C=6C=CC=CC56)CC
name:
2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-3-ethyl-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium

inchi:
InChI=1/C38H37N3O4S3/c1-3-39-25-23-28(31-19-11-12-20-32(31)39)21-22-33-38(42)40(4-2)34(46-33)27-35-41(24-13-14-26-48(43,44)45)36(29-15-7-5-8-16-29)37(47-35)30-17-9-6-10-18-30/h5-12,15-23,25,27H,3-4,13-14,24,26H2,1-2H3


cas: 93857-87-5
formula: C34H30N3O2S.I
inchikey: IMMUPIPHJAXEOB-UHFFFAOYSA-M
norman_susdat_id: NS00091302
smiles: [I-].CN6/C=C\C(=CC=C4SC(=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC=C)C4=O)c5ccccc56
name:
2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium iodide

inchi:
InChI=1/C34H30N3O2S.HI/c1-4-20-37-33(40-31(34(37)38)18-16-25-19-21-35(3)28-14-10-9-13-27(25)28)23-32-36(5-2)29-22-26(15-17-30(29)39-32)24-11-7-6-8-12-24;/h4,6-19,21-23H,1,5,20H2,2-3H3;1H/q+1;/p-1


cas: 93857-89-7
formula: C26H31N2OSe2.I
inchi: -
inchikey: GDQMJSAAANRSIT-UHFFFAOYSA-M
norman_susdat_id: NS00091195
smiles: [I-].CC[n+]3c4cc(C)c(C)cc4[se]c3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC
name:
3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethylbenzoselenazolium iodide


name: Hexacosyl methacrylate
cas: 93857-95-5
chemspiderid: 2289128
dtxsid: DTXSID60239798
formula: C30H58O2
inchikey: VLASYNJZKUULNK-UHFFFAOYSA-N
norman_susdat_id: NS00039696
pubchem_cid: 3022689
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
inchi:
InChI=1S/C30H58O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-30(31)29(2)3/h2,4-28H2,1,3H3


name: Octacosyl methacrylate
cas: 93857-96-6
chemspiderid: 2289129
dtxsid: DTXSID20239799
formula: C32H62O2
inchikey: DOSZZJGMUXDZAK-UHFFFAOYSA-N
norman_susdat_id: NS00039697
pubchem_cid: 3022690
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
inchi:
InChI=1S/C32H62O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-32(33)31(2)3/h2,4-30H2,1,3H3


name: Triacontyl methacrylate
cas: 93857-97-7
chemspiderid: 2289130
dtxsid: DTXSID70239800
formula: C34H66O2
inchikey: GHPRLFYOUPKDQR-UHFFFAOYSA-N
norman_susdat_id: NS00039698
pubchem_cid: 3022691
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
inchi:
InChI=1S/C34H66O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-34(35)33(2)3/h2,4-32H2,1,3H3


name: Hentriacontyl methacrylate
cas: 93857-98-8
chemspiderid: 2289131
dtxsid: DTXSID30239801
formula: C35H68O2
inchikey: PPSTTZGMGSDVKO-UHFFFAOYSA-N
norman_susdat_id: NS00039699
pubchem_cid: 3022692
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
inchi:
InChI=1S/C35H68O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-37-35(36)34(2)3/h2,4-33H2,1,3H3


name: Dotriacontyl methacrylate
cas: 93857-99-9
chemspiderid: 2289132
dtxsid: DTXSID90239802
formula: C36H70O2
inchikey: SHQYAJAWSIGGSP-UHFFFAOYSA-N
norman_susdat_id: NS00039700
pubchem_cid: 3022693
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
inchi:
InChI=1S/C36H70O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-36(37)35(2)3/h2,4-34H2,1,3H3


name: Hexatriacontyl methacrylate
cas: 93858-00-5
chemspiderid: 2289133
dtxsid: DTXSID50239803
formula: C40H78O2
inchikey: OAYMNBMXGBFHKX-UHFFFAOYSA-N
norman_susdat_id: NS00039701
pubchem_cid: 3022694
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
inchi:
InChI=1S/C40H78O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42-40(41)39(2)3/h2,4-38H2,1,3H3


name: 2-[[4-[[2-chloro-4-(methylsulphonyl)phenyl]azo]phenyl]ethylamino]ethanol
cas: 93858-04-9
formula: C17H20ClN3O3S
inchikey: UPYIXQFXIPOBKJ-UHFFFAOYSA-N
norman_susdat_id: NS00062289
pubchem_cid: 21149740
smiles: O=S(=O)(C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCO)C(Cl)=C1)C
inchi:
InChI=1/C17H20ClN3O3S/c1-3-21(10-11-22)14-6-4-13(5-7-14)19-20-17-9-8-15(12-16(17)18)25(2,23)24/h4-9,12,22H,3,10-11H2,1-2H3


name: N,N'-(9,10-dihydro-2-nitro-9,10-dioxo-1,4-anthracenediyl)bisacetamide
cas: 93858-05-0
dtxsid: DTXSID90917436
formula: C18H14N3O6
inchikey: PRXIYLQUHGYOSN-UHFFFAOYSA-N
norman_susdat_id: NS00063770
pubchem_cid: 44154331
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(NC(=O)C)C(=CC(NC(=O)C)=C13)[N+](=O)[O-]
inchi:
InChI=1/C18H13N3O6/c1-8(22)19-12-7-13(21(26)27)16(20-9(2)23)15-14(12)17(24)10-5-3-4-6-11(10)18(15)25/h3-7H,1-2H3,(H,19,22)(H,20,23)


name: 2-[2-[(2,3-dihydro-3-oxo-1H-indazol-6-yl)amino]-2-oxoethyl]icosenoic acid
cas: 93858-07-2
formula: C29H45N3O4
inchikey: YOUFRENTDYZIRO-UHFFFAOYSA-N
norman_susdat_id: NS00062750
pubchem_cid: 53424029
smiles: O=C(O)C(=CCCCCCCCCCCCCCCCCC)CC(=O)NC1=CC=C2C(=O)NNC2=C1
inchi:
InChI=1/C29H45N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(29(35)36)21-27(33)30-24-19-20-25-26(22-24)31-32-28(25)34/h18-20,22H,2-17,21H2,1H3,(H,30,33)(H,35,36)(H2,31,32,34)


name: N,N'-(iminodiethylene)bisdocosanamide
cas: 93858-16-3
dtxsid: DTXSID10917433
formula: C48H97N3O2
inchikey: LCXDVRRNNYKJBW-UHFFFAOYSA-N
norman_susdat_id: NS00063771
pubchem_cid: 13828822
smiles: O=C(NCCNCCNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C48H97N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(52)50-45-43-49-44-46-51-48(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49H,3-46H2,1-2H3,(H,50,52)(H,51,53)


cas: 93858-25-4
formula: C25H18ClN9O12S3
inchikey: QMKVGLRKOOGFPU-UHFFFAOYSA-N
norman_susdat_id: NS00062791
pubchem_cid: 11971153
name:
4-[[5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C25H18ClN9O12S3/c26-23-29-24(27-12-2-1-3-16(10-12)49(42,43)44)31-25(30-23)28-13-4-9-18(50(45,46)47)17(11-13)32-33-19-20(22(37)38)34-35(21(19)36)14-5-7-15(8-6-14)48(39,40)41/h1-11,19H,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31)

smiles:
O=C(O)C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)NC4=CC=CC(=C4)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O


cas: 93858-26-5
formula: C21H16Cl2N6O8S2
inchikey: UUGKXDOFUYJCQB-UHFFFAOYSA-N
norman_susdat_id: NS00062792
pubchem_cid: 166153
smiles: O=S(=O)(O)C1=CC(OC)=CC=C1N=NC=2C(O)=C3C=C(C=CC3=CC2S(=O)(=O)O)N(C=4N=C(Cl)N=C(Cl)N4)C
name:
6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C21H16Cl2N6O8S2/c1-29(21-25-19(22)24-20(23)26-21)11-4-3-10-7-16(39(34,35)36)17(18(30)13(10)8-11)28-27-14-6-5-12(37-2)9-15(14)38(31,32)33/h3-9,30H,1-2H3,(H,31,32,33)(H,34,35,36)


cas: 93858-27-6
formula: C29H18Cl2N8O11S3
inchikey: OMZQIIHBHRKEEK-UHFFFAOYSA-N
norman_susdat_id: NS00091818
name:
5-amino-8-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid

inchi:
InChI=1/C29H18Cl2N8O11S3/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)26(41)21-15(25(23)40)2-1-3-18(21)51(42,43)44/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37)

smiles:
Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1cccc(c1C(=O)c23)S(O)(=O)=O)S(O)(=O)=O)cc4)c(c5)S(O)(=O)=O)nc(Cl)n6


cas: 93858-28-7
dtxsid: DTXSID50917432
formula: C23H14Cl2N6O11S3
inchikey: JNJRVGKGIHKXBW-UHFFFAOYSA-N
norman_susdat_id: NS00062597
pubchem_cid: 172655
name:
8-amino-5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonic acid

inchi:
InChI=1/C23H14Cl2N6O11S3/c24-21-29-22(25)31-23(30-21)28-10-5-4-8(6-13(10)44(37,38)39)27-11-7-14(45(40,41)42)18(26)17-16(11)19(32)9-2-1-3-12(43(34,35)36)15(9)20(17)33/h1-7,27H,26H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,28,29,30,31)

smiles:
O=C1C2=CC=CC(=C2C(=O)C3=C(N)C(=CC(NC4=CC=C(NC=5N=C(Cl)N=C(Cl)N5)C(=C4)S(=O)(=O)O)=C13)S(=O)(=O)O)S(=O)(=O)O


cas: 93858-29-8
formula: C33H39ClN8O10S2
inchikey: ZJPBZSUANPQGEL-UHFFFAOYSA-N
norman_susdat_id: NS00091321
name:
4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulphonic acid

inchi:
InChI=1/C33H39ClN8O10S2/c1-4-6-7-8-9-10-11-12-20-13-15-21(16-14-20)52-33-38-31(34)37-32(39-33)36-22-17-23(25(54(49,50)51)18-24(22)53(46,47)48)40-41-27-19(3)26(28(35)43)29(44)42(5-2)30(27)45/h13-18,45H,4-12H2,1-3H3,(H2,35,43)(H,46,47,48)(H,49,50,51)(H,36,37,38,39)

smiles:
O=C4/C(=C(/C)\C(\N=Nc3cc(Nc2nc(Cl)nc(Oc1ccc(CCCCCCCCC)cc1)n2)c(cc3S(O)(=O)=O)S(O)(=O)=O)=C(\O)N4CC)C(N)=O


cas: 93858-30-1
chemspiderid: 21165786
formula: C52H34Cl2N14O26S8
inchikey: ZBICFMFKSQPNPG-UHFFFAOYSA-N
norman_susdat_id: NS00040857
pubchem_cid: 25083028
name:
2,2'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3,6-disulphonatonaphthalene-2,8-diyl)azo]]bisnaphthalene-1,5-disulphonic acid

inchi:
InChI=1S/C52H34Cl2N14O26S8/c53-47-59-49(63-51(61-47)57-41-37(99(83,84)85)17-21-15-25(95(71,72)73)19-33(39(21)43(41)69)67-65-31-13-11-27-29(45(31)101(89,90)91)3-1-5-35(27)97(77,78)79)55-23-7-9-24(10-8-23)56-50-60-48(54)62-52(64-50)58-42-38(100(86,87)88)18-22-16-26(96(74,75)76)20-34(40(22)44(42)70)68-66-32-14-12-28-30(46(32)102(92,93)94)4-2-6-36(28)98(80,81)82/h1-20,65-68H,(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,55,59,61,63)(H,56,60,62,64)

smiles:
OS(=O)(=O)C1=Cc2cc(cc(NNc3ccc4c(cccc4c3S(O)(=O)=O)S(O)(=O)=O)c2C(=O)C1=Nc1nc(Cl)nc(Nc2ccc(Nc3nc(Cl)nc(N=C4C(=O)c5c(NNc6ccc7c(cccc7c6S(O)(=O)=O)S(O)(=O)=O)cc(cc5C=C4S(O)(=O)=O)S(O)(=O)=O)n3)cc2)n1)S(O)(=O)=O


cas: 93858-31-2
formula: C33H22ClN9O12S4
inchikey: WVADRFDLRPRSOP-UHFFFAOYSA-N
norman_susdat_id: NS00091223
name:
3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonaphthyl]azo]-6-sulphonaphthyl]azo]naphthalene-1,5-disulphonic acid

inchi:
InChI=1/C33H22ClN9O12S4/c34-31-37-32(35)39-33(38-31)36-26-12-11-24(20-4-2-6-28(30(20)26)58(50,51)52)42-43-25-10-9-23(18-8-7-17(15-21(18)25)56(44,45)46)41-40-16-13-22-19(29(14-16)59(53,54)55)3-1-5-27(22)57(47,48)49/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39)

smiles:
Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)c3ccc(cc34)S(O)(=O)=O)c5cccc(c56)S(O)(=O)=O)nc(Cl)n7


name: Sodium (Z)-N-[2-[(2-hydroxyethyl)amino]ethyl]-N-(1-oxo-9-octadecenyl)glycinate
cas: 93858-32-3
formula: C24H46N2O4
inchikey: QJHBZPMAQLBLLU-KVVVOXFISA-M
norman_susdat_id: NS00062313
pubchem_cid: 44147344
smiles: [Na+].O=C([O-])CN(C(=O)CCCCCCCC=CCCCCCCCC)CCNCCO
inchi:
InChI=1/C24H46N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)26(22-24(29)30)20-18-25-19-21-27;/h9-10,25,27H,2-8,11-22H2,1H3,(H,29,30);/q;+1/p-1


cas: 93858-33-4
formula: C40H71N3O
inchikey: NXSQZADJSPOQCO-SKDHIRIWSA-N
norman_susdat_id: NS00063792
pubchem_cid: 3022697
smiles: O=C(NCCN1C(=NCC1)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC
name:
(8Z,9Z,11Z,12Z)-N-[2-[4,5-dihydro-2-(heptadeca-8,11-dienyl)-1H-imidazol-1-yl]ethyl]octadeca-9,12-dien-1-amide

inchi:
InChI=1/C40H71N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-38H2,1-2H3,(H,42,44)


cas: 93858-36-7
formula: C41H74N3O
inchikey: QKGLKXHABSGUGW-UHFFFAOYSA-N
norman_susdat_id: NS00062314
pubchem_cid: NA
smiles: O=C(NCC[N+]1(C(=NCC1)CCCCCCCC=CCC=CCCCCC)C)CCCCCCCC=CCC=CCCCCC.O=S(=O)([O-])OC
name:
(all-Z)-2-(heptadeca-8,11-dienyl)-4,5-dihydro-1-methyl-1-[2-[(octadeca-9,12-dienoyl)amino]ethyl]-1H-imidazolium methyl sulphate

inchi:
InChI=1/C41H73N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h12-15,18-21H,4-11,16-17,22-39H2,1-3H3;1H3,(H,2,3,4)


cas: 93858-43-6
formula: C37H55N4
inchikey: NXNVNAKBDLWJHL-UHFFFAOYSA-M
norman_susdat_id: NS00062610
pubchem_cid: NA
smiles: O=Cl(=O)(=O)[O-].C(C=C1N(C2=CC=C(C=C2C1(C)C)N(CC)CC)CCC)=CC3=[N+](C=4C=CC(=CC4C3(C)C)N(CC)CC)CCC
name:
5-(diethylamino)-2-[3-[5-(diethylamino)-1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propyl-3H-indolium perchlorate

inchi:
InChI=1/C37H55N4.ClHO4/c1-11-24-40-32-22-20-28(38(13-3)14-4)26-30(32)36(7,8)34(40)18-17-19-35-37(9,10)31-27-29(39(15-5)16-6)21-23-33(31)41(35)25-12-2;2-1(3,4)5/h17-23,26-27H,11-16,24-25H2,1-10H3;(H,2,3,4,5)/q+1;/p-1


name: Cinnamic acid, compound with 1,1',1''-nitrilotri(propan-2-ol) (1:1)
cas: 93858-56-1
formula: C9H21NO3.C9H8O2
inchikey: DWGGUICGRRNLHS-UETGHTDLSA-N
norman_susdat_id: NS00091081
smiles: CC(O)CN(CC(C)O)CC(C)O.OC(=O)\C=C\c1ccccc1
inchi:
InChI=1/C9H21NO3.C9H8O2/c1-7(11)4-10(5-8(2)12)6-9(3)13;10-9(11)7-6-8-4-2-1-3-5-8/h7-9,11-13H,4-6H2,1-3H3;1-7H,(H,10,11)


name: Barium 4,4-diethoxy-2,3-dihydroxybutyl phosphate
cas: 93858-65-2
dtxsid: DTXSID70917419
formula: C8H19O8P
inchikey: CSWHLSBLRHSZCG-UHFFFAOYSA-L
norman_susdat_id: NS00062636
pubchem_cid: 44144847
smiles: [Ba+2].O=P([O-])([O-])OCC(O)C(O)C(OCC)OCC
inchi:
InChI=1/C8H19O8P.Ba/c1-3-14-8(15-4-2)7(10)6(9)5-16-17(11,12)13;/h6-10H,3-5H2,1-2H3,(H2,11,12,13);/q;+2/p-2


name: Sodium 5,5-diethylbarbiturate, monoacetate
cas: 93858-66-3
formula: C8H12N2O3.C2H4O2.Na
inchikey: DBFLLUVTCWGEHP-UHFFFAOYSA-L
norman_susdat_id: NS00091835
smiles: [Na+].CCC1(CC)C(=O)NC(=NC1=O)[O-].CC(=O)[O-]
inchi:
InChI=1/C8H12N2O3.C2H4O2.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;1-2(3)4;/h3-4H2,1-2H3,(H2,9,10,11,12,13);1H3,(H,3,4);/q;;+1/p-2


name: Zinc octahydro-4,7-methano-1H-indenedicarboxylate (1:1)
cas: 93858-70-9
dtxsid: DTXSID70917414
formula: C12H16O4
inchikey: IFGXIMTVSVCAKD-UHFFFAOYSA-L
norman_susdat_id: NS00062638
pubchem_cid: NA
smiles: [Zn].O=C([O-])C1(C(=O)[O-])CCC2C3CCC(C3)C21
inchi:
InChI=1/C12H16O4.Zn/c13-10(14)12(11(15)16)4-3-8-6-1-2-7(5-6)9(8)12;/h6-9H,1-5H2,(H,13,14)(H,15,16);/q;+2/p-2


name: 2-[(4H-1,3-benzodioxin-6-ylmethylhydrazono)methyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 93858-79-8
dtxsid: DTXSID60917408
formula: C21H24N3O2
inchikey: NNUKHJDZSMWRMZ-UHFFFAOYSA-N
norman_susdat_id: NS00062818
pubchem_cid: NA
smiles: O=C([O-])C.N(=CC1=[N+](C=2C=CC=CC2C1(C)C)C)NCC3=CC=C4OCOCC4=C3
inchi:
InChI=1/C21H23N3O2.C2H4O2/c1-21(2)17-6-4-5-7-18(17)24(3)20(21)12-23-22-11-15-8-9-19-16(10-15)13-25-14-26-19;1-2(3)4/h4-10,12H,11,13-14H2,1-3H3;1H3,(H,3,4)


cas: 93858-80-1
formula: C26H18Cl3N9O12S3
inchikey: NWKBXGLAOFKAAB-UHFFFAOYSA-N
norman_susdat_id: NS00062361
pubchem_cid: 11971062
name:
2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid

inchi:
InChI=1/C26H18Cl3N9O12S3/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34)

smiles:
O=C(O)C1=CC(=CC=C1NC=2N=C(Cl)N=C(N2)NC3=CC=C(C(N=NC4C(=O)N(N=C4C)C5=CC(Cl)=C(C=C5Cl)S(=O)(=O)O)=C3)S(=O)(=O)O)S(=O)(=O)O


name: [(1-oxoallyl)amino]octadecanesulphonic acid
cas: 93858-81-2
dtxsid: DTXSID00917407
formula: C21H41NO4S
inchikey: ZELMCNGBZNDREZ-UHFFFAOYSA-N
norman_susdat_id: NS00062819
pubchem_cid: 3022710
smiles: O=C(C=C)NC(CCCCCCCCCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C21H41NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27(24,25)26)22-20(23)4-2/h4,21H,2-3,5-19H2,1H3,(H,22,23)(H,24,25,26)


name: Sodium [(1-oxoallyl)amino]dodecane-1-sulphonate
cas: 93858-82-3
dtxsid: DTXSID40917406
formula: C15H29NO4S
inchikey: YTCPCFMBWJUMRH-UHFFFAOYSA-M
norman_susdat_id: NS00062639
pubchem_cid: 3022712
smiles: [Na+].O=C(C=C)NC(CCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C15H29NO4S.Na/c1-3-5-6-7-8-9-10-11-12-13-15(21(18,19)20)16-14(17)4-2;/h4,15H,2-3,5-13H2,1H3,(H,16,17)(H,18,19,20);/q;+1/p-1


cas: 93858-89-0
formula: C18H52N6O24P8.16K
inchikey: PYBZBDDWQUCGFF-UHFFFAOYSA-A
norman_susdat_id: NS00091227
name:
Hexadecapotassium [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate

inchi:
InChI=1/C18H52N6O24P8.16K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;;/q;16*+1/p-16

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93858-90-3
formula: C18H52N6O24P8.8H3N
inchikey: NYTFOVRLJGJMMM-UHFFFAOYSA-F
norman_susdat_id: NS00091365
name:
Octaammonium octahydrogen [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate

inchi:
InChI=1/C18H52N6O24P8.8H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);8*1H3/p-8

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93858-91-4
formula: C18H52N6O24P8.9H3N
inchikey: HUMKPTHJGGKHJB-UHFFFAOYSA-G
norman_susdat_id: NS00091971
name:
Nonaammonium heptahydrogen [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate

inchi:
InChI=1/C18H52N6O24P8.9H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);9*1H3/p-7

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93858-92-5
formula: C18H52N6O24P8.10H3N
inchikey: UNXOCSVEXXRGTE-UHFFFAOYSA-H
norman_susdat_id: NS00091366
name:
Decaammonium [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate

inchi:
InChI=1/C18H52N6O24P8.10H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);10*1H3/p-6

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93858-93-6
formula: C18H52N6O24P8.11H3N
inchikey: QWORIGZVLUNZDN-UHFFFAOYSA-I
norman_susdat_id: NS00091228
name:
Undecaammonium pentahydrogen [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate

inchi:
InChI=1/C18H52N6O24P8.11H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);11*1H3/p-5

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93858-94-7
dtxsid: DTXSID20897414
formula: C20H6Br4Cl4O10S2
inchikey: LOKHDMBPIHPTHW-UHFFFAOYSA-N
norman_susdat_id: NS00062877
pubchem_cid: 56843775
name:
3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis[2,4-dichloro-6-hydroxybenzenesulphonic] acid

inchi:
InChI=1/C20H6Br4Cl4O10S2/c21-11-7-10(12(22)14(24)13(11)23)20(38-19(7)31,8-3(25)1-5(29)17(15(8)27)39(32,33)34)9-4(26)2-6(30)18(16(9)28)40(35,36)37/h1-2,29-30H,(H,32,33,34)(H,35,36,37)

smiles:
O=C1OC(C2=C(Cl)C=C(O)C(=C2Cl)S(=O)(=O)O)(C3=C(Cl)C=C(O)C(=C3Cl)S(=O)(=O)O)C=4C(Br)=C(Br)C(Br)=C(Br)C14


name: Benzyl[2-hydroxy-3-(tridecyloxy)propyl]dimethylammonium chloride
cas: 93858-97-0
dtxsid: DTXSID30917399
formula: C25H46NO2
inchikey: YKSKJDXOMJVTDH-UHFFFAOYSA-M
norman_susdat_id: NS00063056
pubchem_cid: 3022713
smiles: [Cl-].OC(COCCCCCCCCCCCCC)C[N+](C)(C)CC=1C=CC=CC1
inchi:
InChI=1/C25H46NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-28-23-25(27)22-26(2,3)21-24-18-15-14-16-19-24;/h14-16,18-19,25,27H,4-13,17,20-23H2,1-3H3;1H/q+1;/p-1


name: 3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium chloride
cas: 93859-01-9
formula: C22H23N2S2.Cl
inchikey: AKJSLZJYCTZNGZ-UHFFFAOYSA-M
norman_susdat_id: NS00091450
smiles: [Cl-].CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC
inchi:
InChI=1/C22H23N2S2.ClH/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1


name: (2-hydroxyethyl)ammonium tetradecyl sulphate
cas: 93859-02-0
formula: C14H30O4S.C2H7NO
inchikey: RUIOETMATRXRTE-UHFFFAOYSA-N
norman_susdat_id: NS00091451
smiles: CCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO
inchi:
InChI=1/C14H30O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;3-1-2-4/h2-14H2,1H3,(H,15,16,17);4H,1-3H2


name: 2-dodecyl-1,3-phenylene diisocyanate
cas: 93859-03-1
formula: C20H28N2O2
inchikey: HOFCVMOJMJPJEW-UHFFFAOYSA-N
norman_susdat_id: NS00063057
pubchem_cid: 44151133
smiles: O=C=NC1=CC=CC(N=C=O)=C1CCCCCCCCCCCC
inchi:
InChI=1/C20H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-18-19(21-16-23)14-12-15-20(18)22-17-24/h12,14-15H,2-11,13H2,1H3


name: 6-dodecyl-1,3-phenylene diisocyanate
cas: 93859-04-2
formula: C20H28N2O2
inchikey: GYNTWFAMMSEMNZ-UHFFFAOYSA-N
norman_susdat_id: NS00064116
pubchem_cid: 20088359
smiles: O=C=NC1=CC=C(C(N=C=O)=C1)CCCCCCCCCCCC
inchi:
InChI=1/C20H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19(21-16-23)15-20(18)22-17-24/h13-15H,2-12H2,1H3


name: N,N'-bis(1,3-dimethylbutylidene)-4-methylcyclohexane-1,3-diamine
cas: 93859-07-5
formula: C19H36N2
inchikey: XXHWBPRCTBQGPX-UHFFFAOYSA-N
norman_susdat_id: NS00062902
pubchem_cid: 3022720
smiles: N(=C(C)CC(C)C)C1CCC(C)C(N=C(C)CC(C)C)C1
inchi:
InChI=1/C19H36N2/c1-13(2)10-16(6)20-18-9-8-15(5)19(12-18)21-17(7)11-14(3)4/h13-15,18-19H,8-12H2,1-7H3


name: N,N'-bis(1,3-dimethylbutylidene)-2-methylcyclohexane-1,3-diamine
cas: 93859-08-6
formula: C19H36N2
inchikey: DCXGXYQSQMUIQO-UHFFFAOYSA-N
norman_susdat_id: NS00064121
pubchem_cid: 3022721
smiles: N(=C(C)CC(C)C)C1CCCC(N=C(C)CC(C)C)C1C
inchi:
InChI=1/C19H36N2/c1-13(2)11-15(5)20-18-9-8-10-19(17(18)7)21-16(6)12-14(3)4/h13-14,17-19H,8-12H2,1-7H3


name: 1-(6-isocyanatohexyl)-3,5-bis(3-isocyanato-p-tolyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
cas: 93859-11-1
formula: C26H24N6O6
inchikey: OOOQVEARCWMCMR-UHFFFAOYSA-N
norman_susdat_id: NS00062646
pubchem_cid: 11971156
smiles: O=C=NC1=CC(=CC=C1C)N2C(=O)N(C(=O)N(C2=O)CCCCCCN=C=O)C3=CC=C(C(N=C=O)=C3)C
inchi:
InChI=1/C26H24N6O6/c1-18-7-9-20(13-22(18)28-16-34)31-24(36)30(12-6-4-3-5-11-27-15-33)25(37)32(26(31)38)21-10-8-19(2)23(14-21)29-17-35/h7-10,13-14H,3-6,11-12H2,1-2H3


name: 2,2'-[sulphonylbis[(2-chloro-4,1-phenylene)oxy]]bisethanol
cas: 93859-21-3
dtxsid: DTXSID80917389
formula: C16H16Cl2O6S
inchikey: XNJRPAPQYLXGPR-UHFFFAOYSA-N
norman_susdat_id: NS00062647
pubchem_cid: 44145869
smiles: O=S(=O)(C1=CC=C(OCCO)C(Cl)=C1)C2=CC=C(OCCO)C(Cl)=C2
inchi:
InChI=1/C16H16Cl2O6S/c17-13-9-11(1-3-15(13)23-7-5-19)25(21,22)12-2-4-16(14(18)10-12)24-8-6-20/h1-4,9-10,19-20H,5-8H2


name: 2,2'-[sulphonylbis[(2-bromo-4,1-phenylene)oxy]]bisethanol
cas: 93859-22-4
dtxsid: DTXSID20917388
formula: C16H16Br2O6S
inchikey: QKJNRQLFZACAMJ-UHFFFAOYSA-N
norman_susdat_id: NS00062648
pubchem_cid: 44148610
smiles: O=S(=O)(C1=CC=C(OCCO)C(Br)=C1)C2=CC=C(OCCO)C(Br)=C2
inchi:
InChI=1/C16H16Br2O6S/c17-13-9-11(1-3-15(13)23-7-5-19)25(21,22)12-2-4-16(14(18)10-12)24-8-6-20/h1-4,9-10,19-20H,5-8H2


name: Sodium 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazole-5-sulphonate
cas: 93859-23-5
formula: C20H18N2O6S.Na
inchikey: CMJSVQPRGPDZEC-UHFFFAOYSA-M
norman_susdat_id: NS00091481
smiles: [Na+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccc(cc4n3)S(=O)(=O)[O-]
inchi:
InChI=1/C20H18N2O6S.Na/c1-3-22(4-2)13-6-5-12-9-15(20(23)28-18(12)10-13)19-21-16-11-14(29(24,25)26)7-8-17(16)27-19;/h5-11H,3-4H2,1-2H3,(H,24,25,26);/q;+1/p-1


cas: 93859-24-6
formula: C26H21ClN4O4
inchikey: WIJSSSVUDKBGNP-UHFFFAOYSA-N
norman_susdat_id: NS00062649
pubchem_cid: 3022731
smiles: O=C(N)C1=CC=C(OC)C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC4=CC(Cl)=CC=C4C)=C1
name:
4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C26H21ClN4O4/c1-14-7-9-17(27)13-20(14)29-26(34)19-11-15-5-3-4-6-18(15)23(24(19)32)31-30-21-12-16(25(28)33)8-10-22(21)35-2/h3-13,32H,1-2H3,(H2,28,33)(H,29,34)


name: N-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-p-anisidine phosphate
cas: 93859-25-7
formula: C20H22N2O.H3O4P
inchikey: BSLGZRUHOXTFNE-UHFFFAOYSA-N
norman_susdat_id: NS00091240
smiles: OP(O)(=O)O.COc1ccc(cc1)N=CC=C3N(C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H22N2O.H3O4P/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h5-14H,1-4H3;(H3,1,2,3,4)


name: 2,2'-[[3-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]phenyl]imino]diethyl diacetate
cas: 93859-26-8
formula: C22H25ClN6O9
inchikey: HJYJHKFBUCRMQT-UHFFFAOYSA-N
norman_susdat_id: NS00064124
pubchem_cid: 44149401
smiles: O=C(OCCN(C1=CC=C(N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=C1)NC(=O)C)CCOC(=O)C)C
inchi:
InChI=1/C22H23ClN6O9/c1-13(30)24-20-11-16(27(6-8-37-14(2)31)7-9-38-15(3)32)4-5-19(20)25-26-22-18(23)10-17(28(33)34)12-21(22)29(35)36/h4-5,10-12H,6-9H2,1-3H3,(H,24,30)


name: 4,11-diamino-2-[(3-methoxypropyl)amino]-1H-cyclopent[b]anthracene-1,3,5,10(2H)-tetrone
cas: 93859-27-9
dtxsid: DTXSID00917386
formula: C21H19N3O5
inchikey: HLJSNIRVZGORDT-UHFFFAOYSA-N
norman_susdat_id: NS00062650
pubchem_cid: NA
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(N)=C4C(=O)C(NCCCOC)C(=O)C4=C(N)C13
inchi:
InChI=1/C21H19N3O5/c1-29-8-4-7-24-17-20(27)13-14(21(17)28)16(23)12-11(15(13)22)18(25)9-5-2-3-6-10(9)19(12)26/h2-3,5-6,17,24H,4,7-8,22-23H2,1H3


name: N-[2-[(2-cyano-4-nitrophenyl)azo]-5-[(phenylmethyl)amino]phenyl]acetamide
cas: 93859-28-0
formula: C22H19N6O3
inchikey: IHUXCIGEFFMBFE-UHFFFAOYSA-N
norman_susdat_id: NS00064137
pubchem_cid: NA
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2NC(=O)C)NCC=3C=CC=CC3)[N+](=O)[O-]
inchi:
InChI=1/C22H18N6O3/c1-15(29)25-22-12-18(24-14-16-5-3-2-4-6-16)7-9-21(22)27-26-20-10-8-19(28(30)31)11-17(20)13-23/h2-12,24H,14H2,1H3,(H,25,29)


name: Disodium 4-[1-methyl-2-[(1-oxododecyl)amino]ethyl] 2-sulphonatosuccinate
cas: 93859-29-1
dtxsid: DTXSID40917385
formula: C19H35NO8S
inchikey: FQMJJFJMIYPREF-UHFFFAOYSA-L
norman_susdat_id: NS00064138
pubchem_cid: NA
smiles: [Na+].[Na+].O=C(OC(C)CNC(=O)CCCCCCCCCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C19H35NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-17(21)20-14-15(2)28-18(22)13-16(19(23)24)29(25,26)27;;/h15-16H,3-14H2,1-2H3,(H,20,21)(H,23,24)(H,25,26,27);;/q;2*+1/p-2


name: Disodium 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazoledisulphonate
cas: 93859-31-5
dtxsid: DTXSID20917383
formula: C20H20N2O9S2
inchikey: DAVZKFHZEZNCPI-UHFFFAOYSA-L
norman_susdat_id: NS00063097
pubchem_cid: 57356194
smiles: [Na+].[Na+].O=C1OC=2C=C(C=CC2C=C1C3(OC4=CC=CC(=C4N3)S(=O)(=O)[O-])S(=O)(=O)[O-])N(CC)CC
inchi:
InChI=1/C20H20N2O9S2.2Na/c1-3-22(4-2)13-9-8-12-10-14(19(23)30-16(12)11-13)20(33(27,28)29)21-18-15(31-20)6-5-7-17(18)32(24,25)26;;/h5-11,21H,3-4H2,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Sodium 5-(aminosulphonyl)-2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazolesulphonate
cas: 93859-32-6
dtxsid: DTXSID60917382
formula: C20H21N3O8S2
inchikey: YYMUVSVWZRFULJ-UHFFFAOYSA-M
norman_susdat_id: NS00063098
pubchem_cid: 56843776
smiles: [Na+].O=C1OC=2C=C(C=CC2C=C1C3(OC4=CC=C(C=C4N3)S(=O)(=O)N)S(=O)(=O)[O-])N(CC)CC
inchi:
InChI=1/C20H21N3O8S2.Na/c1-3-23(4-2)13-6-5-12-9-15(19(24)30-18(12)10-13)20(33(27,28)29)22-16-11-14(32(21,25)26)7-8-17(16)31-20;/h5-11,22H,3-4H2,1-2H3,(H2,21,25,26)(H,27,28,29);/q;+1/p-1


name: 4-((4-Aminophenyl)methyl)-2-isopropyl-6-propylaniline
cas: 93859-37-1
chemspiderid: 2289160
dtxsid: DTXSID20239810
formula: C19H26N2
inchikey: IAZGYMXXLFYKOE-UHFFFAOYSA-N
norman_susdat_id: NS00039705
pubchem_cid: 3022736
smiles: CCCc1cc(Cc2ccc(N)cc2)cc(C(C)C)c1N
inchi:
InChI=1S/C19H26N2/c1-4-5-16-11-15(12-18(13(2)3)19(16)21)10-14-6-8-17(20)9-7-14/h6-9,11-13H,4-5,10,20-21H2,1-3H3


name: 4-((2-Aminophenyl)methyl)-2,6-diisopropylaniline
cas: 93859-38-2
chemspiderid: 14801745
dtxsid: DTXSID80239811
formula: C19H26N2
inchikey: NJYVLDXNVZXOJY-UHFFFAOYSA-N
norman_susdat_id: NS00039706
pubchem_cid: 3022737
smiles: CC(C)c1cc(Cc2c(N)cccc2)cc(C(C)C)c1N
inchi:
InChI=1S/C19H26N2/c1-12(2)16-10-14(11-17(13(3)4)19(16)21)9-15-7-5-6-8-18(15)20/h5-8,10-13H,9,20-21H2,1-4H3


name: 4-((4-Amino-3,5-diethylphenyl)methyl)-2-((4-aminophenyl)methyl)aniline
cas: 93859-39-3
chemspiderid: 2289161
dtxsid: DTXSID40239812
formula: C24H29N3
inchikey: DHBSKKSIHAPCJU-UHFFFAOYSA-N
norman_susdat_id: NS00039707
pubchem_cid: 3022738
smiles: CCc1cc(Cc2cc(Cc3ccc(N)cc3)c(N)cc2)cc(CC)c1N
inchi:
InChI=1S/C24H29N3/c1-3-19-14-18(15-20(4-2)24(19)27)11-17-7-10-23(26)21(13-17)12-16-5-8-22(25)9-6-16/h5-10,13-15H,3-4,11-12,25-27H2,1-2H3


name: 2-((4-Amino-3,5-diethylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline
cas: 93859-40-6
chemspiderid: 2289162
dtxsid: DTXSID00239813
formula: C24H29N3
inchikey: OBHZIYINRONOGB-UHFFFAOYSA-N
norman_susdat_id: NS00039708
pubchem_cid: 3022739
smiles: CCc1cc(Cc2c(N)ccc(Cc3ccc(N)cc3)c2)cc(CC)c1N
inchi:
InChI=1S/C24H29N3/c1-3-19-13-18(14-20(4-2)24(19)27)15-21-12-17(7-10-23(21)26)11-16-5-8-22(25)9-6-16/h5-10,12-14H,3-4,11,15,25-27H2,1-2H3


name: 4-[(4-amino-m-tolyl)methyl]-2-isopropyl-6-propylaniline
cas: 93859-41-7
dtxsid: DTXSID00917381
formula: C20H28N2
inchikey: UUWZLRCYGVPTGG-UHFFFAOYSA-N
norman_susdat_id: NS00064139
pubchem_cid: 3022740
smiles: NC1=CC=C(C=C1C)CC=2C=C(C(N)=C(C2)C(C)C)CCC
inchi:
InChI=1/C20H28N2/c1-5-6-17-11-16(12-18(13(2)3)20(17)22)10-15-7-8-19(21)14(4)9-15/h7-9,11-13H,5-6,10,21-22H2,1-4H3


name: 4-((2-Amino-m-tolyl)methyl)-2,6-diisopropylaniline
cas: 93859-42-8
chemspiderid: 10670065
dtxsid: DTXSID60239814
formula: C20H28N2
inchikey: MDKBDEDSAWACFL-UHFFFAOYSA-N
norman_susdat_id: NS00039709
pubchem_cid: 3022741
smiles: CC(C)c1cc(Cc2c(N)c(C)ccc2)cc(C(C)C)c1N
inchi:
InChI=1S/C20H28N2/c1-12(2)17-10-15(11-18(13(3)4)20(17)22)9-16-8-6-7-14(5)19(16)21/h6-8,10-13H,9,21-22H2,1-5H3


name: 4-[(4-amino-m-tolyl)methyl]-2,6-diisopropylaniline
cas: 93859-43-9
dtxsid: DTXSID40917380
formula: C20H28N2
inchikey: DTXLOWXPXZWHMR-UHFFFAOYSA-N
norman_susdat_id: NS00063099
pubchem_cid: 3022742
smiles: NC1=CC=C(C=C1C)CC=2C=C(C(N)=C(C2)C(C)C)C(C)C
inchi:
InChI=1/C20H28N2/c1-12(2)17-10-16(11-18(13(3)4)20(17)22)9-15-6-7-19(21)14(5)8-15/h6-8,10-13H,9,21-22H2,1-5H3


name: 4-((4-Amino-3-isopropylphenyl)methyl)-2-((4-aminophenyl)methyl)aniline
cas: 93859-44-0
chemspiderid: 2289164
dtxsid: DTXSID20239815
formula: C23H27N3
inchikey: BANSAJUOKAVMNK-UHFFFAOYSA-N
norman_susdat_id: NS00039710
pubchem_cid: 3022743
smiles: CC(C)c1c(N)ccc(Cc2cc(Cc3ccc(N)cc3)c(N)cc2)c1
inchi:
InChI=1S/C23H27N3/c1-15(2)21-14-18(6-10-23(21)26)11-17-5-9-22(25)19(13-17)12-16-3-7-20(24)8-4-16/h3-10,13-15H,11-12,24-26H2,1-2H3


name: 2-((4-Amino-3-isopropylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline
cas: 93859-45-1
chemspiderid: 2289165
dtxsid: DTXSID80239816
formula: C23H27N3
inchikey: WJJZURJLCWMGEO-UHFFFAOYSA-N
norman_susdat_id: NS00039711
pubchem_cid: 3022744
smiles: CC(C)c1c(N)ccc(Cc2c(N)ccc(Cc3ccc(N)cc3)c2)c1
inchi:
InChI=1S/C23H27N3/c1-15(2)21-14-18(6-10-23(21)26)13-19-12-17(5-9-22(19)25)11-16-3-7-20(24)8-4-16/h3-10,12,14-15H,11,13,24-26H2,1-2H3


name: 4-((4-Amino-3,5-diisopropylphenyl)methyl)-2-((4-aminophenyl)methyl)aniline
cas: 93859-47-3
chemspiderid: 21165827
dtxsid: DTXSID00239818
formula: C26H33N3
inchikey: ODLIBBBOKDCNDU-UHFFFAOYSA-N
norman_susdat_id: NS00039713
pubchem_cid: 3022746
smiles: CC(C)c1cc(Cc2cc(Cc3ccc(N)cc3)c(N)cc2)cc(C(C)C)c1N
inchi:
InChI=1S/C26H33N3/c1-16(2)23-14-20(15-24(17(3)4)26(23)29)11-19-7-10-25(28)21(13-19)12-18-5-8-22(27)9-6-18/h5-10,13-17H,11-12,27-29H2,1-4H3


name: 2-((4-Amino-3,5-diisopropylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline
cas: 93859-48-4
chemspiderid: 21165828
dtxsid: DTXSID60239819
formula: C26H33N3
inchikey: IHAKWUDOPXWXGU-UHFFFAOYSA-N
norman_susdat_id: NS00039714
pubchem_cid: 3022747
smiles: CC(C)c1cc(Cc2c(N)ccc(Cc3ccc(N)cc3)c2)cc(C(C)C)c1N
inchi:
InChI=1S/C26H33N3/c1-16(2)23-14-20(15-24(17(3)4)26(23)29)13-21-12-19(7-10-25(21)28)11-18-5-8-22(27)9-6-18/h5-10,12,14-17H,11,13,27-29H2,1-4H3


name: 2,2'-(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis[4-isocyanato-5-methylbenzenesulphonic] acid
cas: 93859-49-5
dtxsid: DTXSID30917379
formula: C18H12N4O10S2
inchikey: AXFOKFZLKJOEEA-UHFFFAOYSA-N
norman_susdat_id: NS00064165
pubchem_cid: 56843779
smiles: O=C=NC=1C=C(C(=CC1C)S(=O)(=O)O)N2C(=O)N(C2=O)C3=CC(N=C=O)=C(C=C3S(=O)(=O)O)C
inchi:
InChI=1/C18H12N4O10S2/c1-9-3-15(33(27,28)29)13(5-11(9)19-7-23)21-17(25)22(18(21)26)14-6-12(20-8-24)10(2)4-16(14)34(30,31)32/h3-6H,1-2H3,(H,27,28,29)(H,30,31,32)


name: (Z)-N-octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)
cas: 93859-51-9
formula: C21H44N2.2C2H4O3
inchikey: WHNDJHDROKNHQP-XXAVUKJNSA-N
norman_susdat_id: NS00091251
smiles: CCCCCCCC\C=C/CCCCCCCC[NH2+]CCC[NH3+].OCC(=O)[O-].OCC(=O)[O-]
inchi:
InChI=1/C21H44N2.2C2H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*3-1-2(4)5/h9-10,23H,2-8,11-22H2,1H3;2*3H,1H2,(H,4,5)


name: (Z)-1,1'-(octadec-9-enylimino)dipropan-2-ol
cas: 93859-54-2
formula: C24H49NO2
inchikey: KXLSRCCPXGKFDN-QXMHVHEDSA-N
norman_susdat_id: NS00064166
pubchem_cid: 14818778
smiles: OC(C)CN(CCCCCCCCC=CCCCCCCCC)CC(O)C
inchi:
InChI=1/C24H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h11-12,23-24,26-27H,4-10,13-22H2,1-3H3


name: Ethylbis[2-(2-hydroxyethoxy)ethyl](octadecyl)ammonium ethyl sulphate
cas: 93859-56-4
dtxsid: DTXSID70239820
formula: C28H60NO4
inchikey: ODRUOWKEALJGSM-UHFFFAOYSA-M
norman_susdat_id: NS00063141
pubchem_cid: 3022748
smiles: O=S(=O)([O-])OCC.OCCOCC[N+](CC)(CCOCCO)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H60NO4.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(4-2,21-25-32-27-23-30)22-26-33-28-24-31;1-2-6-7(3,4)5/h30-31H,3-28H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 93882-02-1
formula: C17H26N2O4S3
inchikey: JTAMCXBRFQNMED-UHFFFAOYSA-L
norman_susdat_id: NS00064168
pubchem_cid: NA
name:
Calcium bis[2-[2-(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)butylidene]-a-methylpyrrolidine-1-propanesulphonate]

inchi:
InChI=1/2C17H26N2O4S3.Ca/c2*1-4-13(15-16(20)19(5-2)17(24)25-15)11-14-7-6-9-18(14)10-8-12(3)26(21,22)23;/h2*11-12H,4-10H2,1-3H3,(H,21,22,23);/q;;+2/p-2

smiles:
[Ca+2].O=C1C(SC(=S)N1CC)=C(C=C2N(CCC2)CCC(C)S(=O)(=O)[O-])CC.O=C1C(SC(=S)N1CC)=C(C=C2N(CCC2)CCC(C)S(=O)(=O)[O-])CC


cas: 93882-03-2
formula: C53H68N4O8S
inchikey: DWPIKIHHVGGUFL-UHFFFAOYSA-M
norman_susdat_id: NS00062709
pubchem_cid: 136784960
name:
Sodium 1-methyl 2-[[4-hydroxy-3-[[[2-(methyloctadecylamino)-5-sulphonatophenyl]amino]carbonyl]-1-naphthyl]azo]-5-[1-(4-hydroxyphenyl)-1-methylethyl]benzoate

inchi:
InChI=1/C53H68N4O8S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-57(4)49-33-31-41(66(62,63)64)36-48(49)54-51(60)45-37-47(42-24-21-22-25-43(42)50(45)59)56-55-46-32-28-39(35-44(46)52(61)65-5)53(2,3)38-26-29-40(58)30-27-38;/h21-22,24-33,35-37,58-59H,6-20,23,34H2,1-5H3,(H,54,60)(H,62,63,64);/q;+1/p-1

smiles:
[Na+].O=C(OC)C1=CC(=CC=C1N=NC2=CC(C(=O)NC3=CC(=CC=C3N(C)CCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-])=C(O)C=4C=CC=CC24)C(C5=CC=C(O)C=C5)(C)C


name: 3,3',3'',3'''-[p-phenylenebis[methylenenitrilobis(ethyleneoxy)]]tetrakis(propiononitrile)
cas: 93882-04-3
dtxsid: DTXSID80917369
formula: C28H40N6O4
inchikey: LKBXHMJSZBOITD-UHFFFAOYSA-N
norman_susdat_id: NS00062710
pubchem_cid: 56843831
smiles: N#CCCOCCN(CC1=CC=C(C=C1)CN(CCOCCC#N)CCOCCC#N)CCOCCC#N
inchi:
InChI=1/C28H40N6O4/c29-9-1-17-35-21-13-33(14-22-36-18-2-10-30)25-27-5-7-28(8-6-27)26-34(15-23-37-19-3-11-31)16-24-38-20-4-12-32/h5-8H,1-4,13-26H2


cas: 93882-08-7
formula: C37H32N4O12S4
inchikey: ZZTFJEYVTHVDGA-UHFFFAOYSA-L
norman_susdat_id: NS00064169
pubchem_cid: 135570925
name:
Disodium 3-[[5-[(ethylphenylamino)sulphonyl]-2-phenoxyphenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate

inchi:
InChI=1/C37H32N4O12S4.2Na/c1-3-41(26-10-6-4-7-11-26)55(45,46)29-18-19-33(53-27-12-8-5-9-13-27)31(22-29)38-39-36-34(57(50,51)52)21-25-20-30(56(47,48)49)23-32(35(25)37(36)42)40-54(43,44)28-16-14-24(2)15-17-28;;/h4-23,40,42H,3H2,1-2H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC(=CC=C3OC=4C=CC=CC4)S(=O)(=O)N(C=5C=CC=CC5)CC)C(O)=C2C(=C1)NS(=O)(=O)C6=CC=C(C=C6)C)S(=O)(=O)[O-]


cas: 93882-09-8
formula: C37H32N4O12S4
inchikey: KHVBHYXAASRLGG-UHFFFAOYSA-N
norman_susdat_id: NS00092001
name:
3-[[5-[(ethylphenylamino)sulphonyl]-2-phenoxyphenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C37H32N4O12S4/c1-3-41(26-10-6-4-7-11-26)55(45,46)29-18-19-33(53-27-12-8-5-9-13-27)31(22-29)38-39-36-34(57(50,51)52)21-25-20-30(56(47,48)49)23-32(35(25)37(36)42)40-54(43,44)28-16-14-24(2)15-17-28/h4-23,40,42H,3H2,1-2H3,(H,47,48,49)(H,50,51,52)

smiles:
Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3cc(ccc3Oc2ccccc2)S(=O)(=O)N(CC)c4ccccc4)c(O)c56)S(O)(=O)=O)S(O)(=O)=O


name: [trimethyl[3-[3-(octadecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] methyl sulphate
cas: 93882-18-9
formula: C28H55N2O2
inchikey: FMGRHIWJCNVYPS-UHFFFAOYSA-M
norman_susdat_id: NS00064185
pubchem_cid: 44150264
smiles: O=C1N(C(=O)C(C1)CCCCCCCCCCCCCCCCCC)CCC[N+](C)(C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C28H55N2O2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-25-27(31)29(28(26)32)23-21-24-30(2,3)4;1-5-6(2,3)4/h26H,5-25H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Undecenoic acid, compound with 1,1',1''-nitrilotripropan-2-ol (1:1)
cas: 93882-24-7
formula: C11H20O2.C9H21NO3
inchikey: PYQCTDQXYOPUAC-UHFFFAOYSA-N
norman_susdat_id: NS00091512
smiles: CC(O)CN(CC(C)O)CC(O)C.CCCCCCCCC=CC(O)=O
inchi:
InChI=1/C11H20O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-7(11)4-10(5-8(2)12)6-9(3)13/h9-10H,2-8H2,1H3,(H,12,13);7-9,11-13H,4-6H2,1-3H3


name: Undecenoic acid, compound with 1,1'-iminodipropan-2-ol (1:1)
cas: 93882-25-8
formula: C11H20O2.C6H15NO2
inchikey: HHBYTADNNJWYNZ-UHFFFAOYSA-N
norman_susdat_id: NS00091258
smiles: CC(O)CNCC(C)O.CCCCCCCCC=CC(O)=O
inchi:
InChI=1/C11H20O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-5(8)3-7-4-6(2)9/h9-10H,2-8H2,1H3,(H,12,13);5-9H,3-4H2,1-2H3


name: Undecenoic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 93882-26-9
formula: C11H20O2.C4H11NO2
inchikey: VNXXAZGRKNBGJN-UHFFFAOYSA-N
norman_susdat_id: NS00091259
smiles: O=C(O)C=CCCCCCCCC.OCCNCCO
inchi:
InChI=1/C11H20O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11(12)13;6-3-1-5-2-4-7/h9-10H,2-8H2,1H3,(H,12,13);5-7H,1-4H2


name: Undecenoic acid, compound with piperazine-1,4-diethanol (1:1)
cas: 93882-29-2
formula: C11H20O2.C8H18N2O2
inchikey: REPWJAARYCPIJJ-UHFFFAOYSA-N
norman_susdat_id: NS00091767
smiles: OCCN1CCN(CC1)CCO.CCCCCCCCC=CC(O)=O
inchi:
InChI=1/C11H20O2.C8H18N2O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;11-7-5-9-1-2-10(4-3-9)6-8-12/h9-10H,2-8H2,1H3,(H,12,13);11-12H,1-8H2


name: Undecenoic acid, compound with morpholine (1:1)
cas: 93882-30-5
formula: C11H20O2.C4H9NO
inchikey: OZXSVQHNSHKKTP-UHFFFAOYSA-N
norman_susdat_id: NS00091011
smiles: OC(=O)C=CCCCCCCCC.C1CNCCO1
inchi:
InChI=1/C11H20O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3-6-4-2-5-1/h9-10H,2-8H2,1H3,(H,12,13);5H,1-4H2


name: Undecenoic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)
cas: 93882-31-6
formula: C11H20O2.C4H11NO
inchikey: DZUXUFAJIJPWDC-UHFFFAOYSA-N
norman_susdat_id: NS00091253
smiles: OC(=O)C=CCCCCCCCC.CC(C)(N)CO
inchi:
InChI=1/C11H20O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-4(2,5)3-6/h9-10H,2-8H2,1H3,(H,12,13);6H,3,5H2,1-2H3


name: N-[2-[4,5-dihydro-2-(pentadecenyl)-1H-imidazol-1-yl]ethyl]hexadecenamide
cas: 93882-41-8
dtxsid: DTXSID20917363
formula: C36H67N3O
inchikey: NWNWLHTXOQRNML-UHFFFAOYSA-N
norman_susdat_id: NS00062491
pubchem_cid: 53437596
smiles: O=C(C=CCCCCCCCCCCCCC)NCCN1C(=NCC1)C=CCCCCCCCCCCCCC
inchi:
InChI=1/C36H67N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-37-31-33-39(35)34-32-38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26,31-34H2,1-2H3,(H,38,40)


name: N-[2-[2-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl]ethyl]octadecenamide
cas: 93882-42-9
dtxsid: DTXSID60917362
formula: C40H75N3O
inchikey: QBKYKLLNSADWFU-UHFFFAOYSA-N
norman_susdat_id: NS00062492
pubchem_cid: 53437595
smiles: O=C(C=CCCCCCCCCCCCCCCC)NCCN1C(=NCC1)C=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H75N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30,35-38H2,1-2H3,(H,42,44)


name: Icosyl hexadecenoate
cas: 93882-43-0
formula: C36H70O2
inchikey: QYYKZDPETREORG-UHFFFAOYSA-N
norman_susdat_id: NS00063669
pubchem_cid: 53436685
smiles: O=C(OCCCCCCCCCCCCCCCCCCCC)C=CCCCCCCCCCCCCC
inchi:
InChI=1/C36H70O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h32,34H,3-31,33,35H2,1-2H3


name: Hexadecyl icosenoate
cas: 93882-45-2
formula: C36H70O2
inchikey: LKLKXFGZRLGRGI-UHFFFAOYSA-N
norman_susdat_id: NS00062194
pubchem_cid: 53436618
smiles: O=C(OCCCCCCCCCCCCCCCC)C=CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H70O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h32,34H,3-31,33,35H2,1-2H3


name: Icosyl icosenoate
cas: 93882-46-3
formula: C40H78O2
inchikey: ZQQPOGSRTFDKKJ-UHFFFAOYSA-N
norman_susdat_id: NS00062685
pubchem_cid: 53436686
smiles: O=C(OCCCCCCCCCCCCCCCCCCCC)C=CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36,38H,3-35,37,39H2,1-2H3


name: Octadecyl icosenoate
cas: 93882-47-4
formula: C38H74O2
inchikey: PPGOWGAGXXVWTC-UHFFFAOYSA-N
norman_susdat_id: NS00062686
pubchem_cid: 53437851
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C=CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h34,36H,3-33,35,37H2,1-2H3


name: Octadecenyl icosenoate
cas: 93882-48-5
formula: C38H72O2
inchikey: HYAVVCFXEHQUHQ-UHFFFAOYSA-N
norman_susdat_id: NS00062493
pubchem_cid: 53437848
smiles: O=C(OC=CCCCCCCCCCCCCCCCC)C=CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H72O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h34-37H,3-33H2,1-2H3


name: Dioctadecenyl-4,15-dioxo-5,8,11,14-tetraoxaoctadecanedioic acid
cas: 93882-50-9
formula: C50H90O10
inchikey: CRNLBIMWGHRNME-UHFFFAOYSA-N
norman_susdat_id: NS00062494
pubchem_cid: 53436522
smiles: O=C(O)CCC(=O)OCCOCCOCCOC(=O)CC(C=CCCCCCCCCCCCCCCCC)(C=CCCCCCCCCCCCCCCCC)C(=O)O
inchi:
InChI=1/C50H90O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-50(49(55)56,38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)45-48(54)60-44-42-58-40-39-57-41-43-59-47(53)36-35-46(51)52/h33-34,37-38H,3-32,35-36,39-45H2,1-2H3,(H,51,52)(H,55,56)


name: Dioctadecenyl-4,18-dioxo-5,8,11,14,17-pentaoxahenicosanedioic acid
cas: 93882-52-1
formula: C52H94O11
inchikey: UXZUSTPLLLNWGO-UHFFFAOYSA-N
norman_susdat_id: NS00062687
pubchem_cid: 53436523
smiles: O=C(O)CCC(=O)OCCOCCOCCOCCOC(=O)CC(C=CCCCCCCCCCCCCCCCC)(C=CCCCCCCCCCCCCCCCC)C(=O)O
inchi:
InChI=1/C52H94O11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-52(51(57)58,38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47-50(56)63-46-44-61-42-40-59-39-41-60-43-45-62-49(55)36-35-48(53)54/h33-34,37-38H,3-32,35-36,39-47H2,1-2H3,(H,53,54)(H,57,58)


name: (octahydro-4,7-methano-1H-inden-5-yl) hydrogen 2-octadecenylsuccinate
cas: 93882-56-5
formula: C32H54O4
inchikey: HTBWUGSIMJUCLG-UHFFFAOYSA-M
norman_susdat_id: NS00062495
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OC1CC2CC1C3CCCC23)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25(24-31(33)34)32(35)36-30-23-26-22-29(30)28-21-18-20-27(26)28/h16-17,25-30H,2-15,18-24H2,1H3,(H,33,34)/p-1


name: [benzyldimethyl[3-[3-(dodecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] chloride
cas: 93882-60-1
dtxsid: DTXSID30917359
formula: C28H47N2O2
inchikey: YRQCCBPKZGULQJ-UHFFFAOYSA-M
norman_susdat_id: NS00062216
pubchem_cid: 44152317
smiles: [Cl-].O=C1N(C(=O)C(C1)CCCCCCCCCCCC)CCC[N+](C)(C)CC=2C=CC=CC2
inchi:
InChI=1/C28H47N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-16-20-26-23-27(31)29(28(26)32)21-17-22-30(2,3)24-25-18-14-13-15-19-25;/h13-15,18-19,26H,4-12,16-17,20-24H2,1-3H3;1H/q+1;/p-1


name: Lactic acid, compound with 2-(heptadecenyl)-4,5-dihydro-1H-imidazol-1-ethanol (1:1)
cas: 93882-61-2
formula: C22H42N2O.C3H6O3
inchikey: BDKCADCVKJFZAC-UHFFFAOYSA-N
norman_susdat_id: NS00091768
smiles: OCCN1CC\N=C1\C=CCCCCCCCCCCCCCCC.OC(=O)C(C)O
inchi:
InChI=1/C22H42N2O.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(4)3(5)6/h16-17,25H,2-15,18-21H2,1H3;2,4H,1H3,(H,5,6)


name: [4-(tert-butyl)cyclohexyl] hydrogen 2-octadecenylsuccinate
cas: 93882-63-4
formula: C32H58O4
inchikey: OUATTWNYFJEZRM-UHFFFAOYSA-M
norman_susdat_id: NS00062217
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OC1CCC(CC1)C(C)(C)C)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(26-30(33)34)31(35)36-29-24-22-28(23-25-29)32(2,3)4/h19-20,27-29H,5-18,21-26H2,1-4H3,(H,33,34)/p-1


name: (cyclohexylmethyl) hydrogen 2-octadecenylsuccinate
cas: 93882-65-6
formula: C29H52O4
inchikey: ISVGYZNMDOGTBA-UHFFFAOYSA-M
norman_susdat_id: NS00063670
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OCC1CCCCC1)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C29H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(24-28(30)31)29(32)33-25-26-21-18-17-19-22-26/h16,20,26-27H,2-15,17-19,21-25H2,1H3,(H,30,31)/p-1


name: Benzyl hydrogen 2-octadecenylsuccinate
cas: 93882-67-8
formula: C29H46O4
inchikey: BDMDMLPBHWPBFP-UHFFFAOYSA-M
norman_susdat_id: NS00062496
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OCC=1C=CC=CC1)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(24-28(30)31)29(32)33-25-26-21-18-17-19-22-26/h16-22,27H,2-15,23-25H2,1H3,(H,30,31)/p-1


name: Ethyl hydrogen 2-octadecenylsuccinate
cas: 93882-69-0
formula: C24H44O4
inchikey: XIIDADMOYIKAKW-UHFFFAOYSA-M
norman_susdat_id: NS00062497
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OCC)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(25)26)24(27)28-4-2/h18-19,22H,3-17,20-21H2,1-2H3,(H,25,26)/p-1


name: Octyl hydrogen 2-octadecenylsuccinate
cas: 93882-71-4
formula: C30H56O4
inchikey: XHNWGWQSISVWHP-UHFFFAOYSA-M
norman_susdat_id: NS00062688
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OCCCCCCCC)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H56O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-28(27-29(31)32)30(33)34-26-24-22-10-8-6-4-2/h21,23,28H,3-20,22,24-27H2,1-2H3,(H,31,32)/p-1


name: Tetradecyl hydrogen 2-octadecenylsuccinate
cas: 93882-73-6
formula: C36H68O4
inchikey: VOSBTAIXFOEVFC-UHFFFAOYSA-M
norman_susdat_id: NS00063693
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OCCCCCCCCCCCCCC)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H68O4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-34(33-35(37)38)36(39)40-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h27,29,34H,3-26,28,30-33H2,1-2H3,(H,37,38)/p-1


name: Hexadecyl hydrogen 2-octadecenylsuccinate
cas: 93882-75-8
formula: C38H72O4
inchikey: CELLCAJAKVTDJC-UHFFFAOYSA-M
norman_susdat_id: NS00063694
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OCCCCCCCCCCCCCCCC)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H72O4/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-36(35-37(39)40)38(41)42-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h29,31,36H,3-28,30,32-35H2,1-2H3,(H,39,40)/p-1


cas: 93891-87-3
formula: C33H36N4O6.2Na
inchikey: XNHLFNMMORFXAO-PDQJREFDSA-L
norman_susdat_id: NS00091177
name:
Disodium 1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-dipropionate

inchi:
InChI=1/C33H36N4O6.2Na/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26;;/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].CC1=C(C=C)\C(=C\c2[nH]c(Cc3[nH]c(\C=C\4/NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)[O-])c(CCC(=O)[O-])c2C)\NC1=O


name: Naphthalene-1-sulphonic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 93892-11-6
formula: C10H8O3S.C4H11NO2
inchikey: NMMKJVBEODGHOK-UHFFFAOYSA-N
norman_susdat_id: NS00091417
smiles: OCCNCCO.OS(=O)(=O)c1cccc2ccccc12
inchi:
InChI=1/C10H8O3S.C4H11NO2/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;6-3-1-5-2-4-7/h1-7H,(H,11,12,13);5-7H,1-4H2


name: Naphthalene-1-sulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93892-12-7
formula: C10H8O3S.C6H15NO3
inchikey: GSMXMZFSQCOHGU-UHFFFAOYSA-N
norman_susdat_id: NS00091418
smiles: OCCN(CCO)CCO.OS(=O)(=O)c1cccc2ccccc12
inchi:
InChI=1/C10H8O3S.C6H15NO3/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;8-4-1-7(2-5-9)3-6-10/h1-7H,(H,11,12,13);8-10H,1-6H2


name: 5-((4-(Acetylamino)phenyl)amino)-8-amino-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonic acid
cas: 93892-19-4
chemspiderid: 2289180
dtxsid: DTXSID80239831
formula: C22H17N3O9S2
inchikey: RZGDMYFDZTWCPZ-UHFFFAOYSA-N
norman_susdat_id: NS00039723
pubchem_cid: 3022762
smiles: CC(=O)Nc1ccc(Nc2c3C(=O)c4cccc(c4C(=O)c3c(N)c(c2)S(=O)(=O)O)S(=O)(=O)O)cc1
inchi:
InChI=1S/C22H17N3O9S2/c1-10(26)24-11-5-7-12(8-6-11)25-14-9-16(36(32,33)34)20(23)19-18(14)21(27)13-3-2-4-15(35(29,30)31)17(13)22(19)28/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34)


name: Sodium 2-[(4,5-diamino-1-naphthyl)azo]-5-nitrobenzenesulphonate
cas: 93892-20-7
formula: C16H13N5O5S.Na
inchikey: PGMZOISWTRDFEF-UHFFFAOYSA-M
norman_susdat_id: NS00091419
smiles: [Na+].[O-][N+](=O)c3ccc(N=Nc2ccc(N)c1c2cccc1N)c(c3)S([O-])(=O)=O
inchi:
InChI=1/C16H13N5O5S.Na/c17-11-3-1-2-10-13(7-5-12(18)16(10)11)19-20-14-6-4-9(21(22)23)8-15(14)27(24,25)26;/h1-8H,17-18H2,(H,24,25,26);/q;+1/p-1


name: 2-[(4,5-diamino-1-naphthyl)azo]-5-nitrobenzenesulphonic acid
cas: 93892-21-8
formula: C16H14N5O5S
inchikey: DJRGSBQSDHTWGW-UHFFFAOYSA-N
norman_susdat_id: NS00062800
pubchem_cid: 3022764
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(N)C=3C(N)=CC=CC23)C(=C1)S(=O)(=O)O
inchi:
InChI=1/C16H13N5O5S/c17-11-3-1-2-10-13(7-5-12(18)16(10)11)19-20-14-6-4-9(21(22)23)8-15(14)27(24,25)26/h1-8H,17-18H2,(H,24,25,26)


name: 3-methyl-5-[[4-[(4-sulphophenyl)azo]phenyl]azo]salicylic acid
cas: 93892-24-1
formula: C20H16N4O6S
inchikey: MZTTYRHRQVDPIL-UHFFFAOYSA-N
norman_susdat_id: NS00091420
smiles: Cc3cc(N=Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2)cc(C(O)=O)c3O
inchi:
InChI=1/C20H16N4O6S/c1-12-10-16(11-18(19(12)25)20(26)27)24-23-14-4-2-13(3-5-14)21-22-15-6-8-17(9-7-15)31(28,29)30/h2-11,25H,1H3,(H,26,27)(H,28,29,30)


name: 2-[4-[[4-[[(p-tolyl)sulphonyl]oxy]-m-tolyl]azo]anilino]-5-nitrobenzenesulphonic acid
cas: 93892-25-2
formula: C26H22N4O8S2
inchikey: QOSNGQJTAXLIEU-UHFFFAOYSA-N
norman_susdat_id: NS00091421
smiles: O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S(O)(=O)=O)[N+]([O-])=O)cc3)c4ccc(C)cc4
inchi:
InChI=1/C26H22N4O8S2/c1-17-3-11-23(12-4-17)40(36,37)38-25-14-9-21(15-18(25)2)29-28-20-7-5-19(6-8-20)27-24-13-10-22(30(31)32)16-26(24)39(33,34)35/h3-16,27H,1-2H3,(H,33,34,35)


name: 5-[(2-hydroxy-5-methylphenyl)azo]-2-[2-(4-nitro-2-sulphophenyl)vinyl]benzenesulphonic acid
cas: 93892-27-4
formula: C21H17N3O9S2
inchikey: CYPTVFMYUBJWES-HPOMVFMNSA-N
norman_susdat_id: NS00091939
smiles: Oc3ccc(C)cc3N=Nc2ccc(/C=C/c1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)c(c2)S(O)(=O)=O
inchi:
InChI=1/C21H17N3O9S2/c1-13-2-9-19(25)18(10-13)23-22-16-7-5-14(20(11-16)34(28,29)30)3-4-15-6-8-17(24(26)27)12-21(15)35(31,32)33/h2-12,25H,1H3,(H,28,29,30)(H,31,32,33)


name: 4,6-dicyclopentyl-1,1,3-trimethylindan-5-ol
cas: 93892-35-4
dtxsid: DTXSID40917345
formula: C22H32O
inchikey: RTODAWILMZRMIW-UHFFFAOYSA-N
norman_susdat_id: NS00062552
pubchem_cid: 3022771
smiles: OC1=C(C=C2C(=C1C3CCCC3)C(C)CC2(C)C)C4CCCC4
inchi:
InChI=1/C22H32O/c1-14-13-22(2,3)18-12-17(15-8-4-5-9-15)21(23)20(19(14)18)16-10-6-7-11-16/h12,14-16,23H,4-11,13H2,1-3H3


name: 1,1,3,3-tetramethyl-6-(1-phenylethyl)indan-5-ol
cas: 93892-38-7
dtxsid: DTXSID20917343
formula: C21H26O
inchikey: QEHZZXVKRGIJPX-UHFFFAOYSA-N
norman_susdat_id: NS00063009
pubchem_cid: 3022774
smiles: OC=1C=C2C(=CC1C(C=3C=CC=CC3)C)C(C)(C)CC2(C)C
inchi:
InChI=1/C21H26O/c1-14(15-9-7-6-8-10-15)16-11-17-18(12-19(16)22)21(4,5)13-20(17,2)3/h6-12,14,22H,13H2,1-5H3


name: 4-tert-Butyl-2,6-dicyclopentylphenol
cas: 93892-39-8
chemspiderid: 2289192
dtxsid: DTXSID40239837
formula: C20H30O1
inchikey: OHUBRCRQNDCACB-UHFFFAOYSA-N
norman_susdat_id: NS00039728
pubchem_cid: 3022775
smiles: CC(C)(C)c1cc(C2CCCC2)c(O)c(c1)C1CCCC1
inchi:
InChI=1S/C20H30O/c1-20(2,3)16-12-17(14-8-4-5-9-14)19(21)18(13-16)15-10-6-7-11-15/h12-15,21H,4-11H2,1-3H3


name: 6-Cyclopentyl-1,1,3,3-tetramethylindan-5-ol
cas: 93892-42-3
chemspiderid: 2289194
dtxsid: DTXSID70239840
formula: C18H26O1
inchikey: IAXRJXQHJSFPBF-UHFFFAOYSA-N
norman_susdat_id: NS00039731
pubchem_cid: 3022777
smiles: CC1(C)CC(C)(C)c2cc(C3CCCC3)c(O)cc12
inchi:
InChI=1S/C18H26O/c1-17(2)11-18(3,4)15-10-16(19)13(9-14(15)17)12-7-5-6-8-12/h9-10,12,19H,5-8,11H2,1-4H3


name: 2,2'-(2-methylpropylidene)bis[5-cyclopentyl-p-cresol]
cas: 93892-43-4
dtxsid: DTXSID60917342
formula: C28H38O2
inchikey: HJWMYGHHFIQRCH-UHFFFAOYSA-N
norman_susdat_id: NS00064045
pubchem_cid: 44151039
smiles: OC=1C=C(C(=CC1C(C=2C=C(C(=CC2O)C3CCCC3)C)C(C)C)C)C4CCCC4
inchi:
InChI=1/C28H38O2/c1-17(2)28(24-13-18(3)22(15-26(24)29)20-9-5-6-10-20)25-14-19(4)23(16-27(25)30)21-11-7-8-12-21/h13-17,20-21,28-30H,5-12H2,1-4H3


name: 4,4'-methylenebis[6-cyclopentyl-3,3-dimethylindan-5-ol]
cas: 93892-44-5
dtxsid: DTXSID00917341
formula: C33H44O2
inchikey: BFMRXSZZYNJRHW-UHFFFAOYSA-N
norman_susdat_id: NS00064046
pubchem_cid: 44150277
smiles: OC1=C(C2=C(C=C1C3CCCC3)CCC2(C)C)CC4=C(O)C(=CC5=C4C(C)(C)CC5)C6CCCC6
inchi:
InChI=1/C33H44O2/c1-32(2)15-13-22-17-24(20-9-5-6-10-20)30(34)26(28(22)32)19-27-29-23(14-16-33(29,3)4)18-25(31(27)35)21-11-7-8-12-21/h17-18,20-21,34-35H,5-16,19H2,1-4H3


name: 6,6'-(2-methylpropylidene)bis[4-cyclopentyl-m-cresol]
cas: 93892-45-6
dtxsid: DTXSID40917340
formula: C28H38O2
inchikey: FNKPWXLHDCAGEG-UHFFFAOYSA-N
norman_susdat_id: NS00062553
pubchem_cid: 44148907
smiles: OC=1C=C(C(=CC1C(C=2C=C(C(=CC2O)C)C3CCCC3)C(C)C)C4CCCC4)C
inchi:
InChI=1/C28H38O2/c1-17(2)28(24-15-22(18(3)13-26(24)29)20-9-5-6-10-20)25-16-23(19(4)14-27(25)30)21-11-7-8-12-21/h13-17,20-21,28-30H,5-12H2,1-4H3


name: 2,2'-(2-methylpropylidene)bis[6-cyclopentyl-p-cresol]
cas: 93892-46-7
dtxsid: DTXSID30917339
formula: C28H38O2
inchikey: SHCZVYJBDXJGSZ-UHFFFAOYSA-N
norman_susdat_id: NS00062803
pubchem_cid: 44146727
smiles: OC=1C(=CC(=CC1C2CCCC2)C)C(C3=CC(=CC(=C3O)C4CCCC4)C)C(C)C
inchi:
InChI=1/C28H38O2/c1-17(2)26(24-15-18(3)13-22(27(24)29)20-9-5-6-10-20)25-16-19(4)14-23(28(25)30)21-11-7-8-12-21/h13-17,20-21,26,29-30H,5-12H2,1-4H3


name: Disodium 4-[2,2-bis(hydroxymethyl)-3-[(1-oxooctadecyl)oxy]propyl] 2-sulphonatosuccinate
cas: 93892-62-7
dtxsid: DTXSID10917332
formula: C27H50O11S
inchikey: RUZCWJHXJYRRDR-UHFFFAOYSA-L
norman_susdat_id: NS00063011
pubchem_cid: 11971162
smiles: [Na+].[Na+].O=C(OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-])CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H50O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)37-21-27(19-28,20-29)22-38-25(31)18-23(26(32)33)39(34,35)36;;/h23,28-29H,2-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2


name: Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate
cas: 93892-64-9
dtxsid: DTXSID50917331
formula: C42H80O7
inchikey: PPXRWADJRFKXFV-UHFFFAOYSA-N
norman_susdat_id: NS00063012
pubchem_cid: 16205844
smiles: O=C(OCC1OCC(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C1O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C42H80O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)48-36-38-41(46)42(37(43)35-47-38)49-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-43,46H,3-36H2,1-2H3


name: Calcium 2-methylnaphthalenesulphonate
cas: 93892-70-7
formula: C11H10O3S.Ca
inchikey: KVGLPYDUSVENOR-UHFFFAOYSA-L
norman_susdat_id: NS00091338
smiles: [Ca+2].Cc1ccc2ccccc2c1S(=O)(=O)[O-].Cc3ccc4ccccc4c3S(=O)(=O)[O-]
inchi:
InChI=1/2C11H10O3S.Ca/c2*1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;/h2*2-7H,1H3,(H,12,13,14);/q;;+2/p-2


name: Dialuminium tris[2-methylnaphthalenesulphonate]
cas: 93892-71-8
formula: C11H10O3S.1/3Al
inchikey: BYLUHYCACXSEQC-UHFFFAOYSA-K
norman_susdat_id: NS00091946
inchi:
InChI=1/3C11H10O3S.2Al/c3*1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;;/h3*2-7H,1H3,(H,12,13,14);;/q;;;2*+3/p-3

smiles:
[Al+3].[Al+3].Cc1ccc2ccccc2c1S(=O)(=O)[O-].Cc3ccc4ccccc4c3S(=O)(=O)[O-].Cc5ccc6ccccc6c5S(=O)(=O)[O-]


cas: 93892-76-3
formula: C15H44N5O21P7.9H3N
inchikey: UVFDXNBMAWMUFW-UHFFFAOYSA-I
norman_susdat_id: NS00091201
name:
Nonaammonium pentahydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.9H3N/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);9*1H3/p-5

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-78-5
formula: C15H44N5O21P7.13H3N
inchikey: UXFCSDIWXVTIEJ-UHFFFAOYSA-M
norman_susdat_id: NS00091339
name:
Tridecaammonium hydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.13H3N/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);13*1H3/p-1

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-79-6
formula: C15H44N5O21P7.14H3N
inchikey: YAXTUNCSPJGMKS-UHFFFAOYSA-N
norman_susdat_id: NS00091202
name:
Tetradecaammonium [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.14H3N/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);14*1H3

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-80-9
formula: C18H52N6O24P8.8Na
inchikey: MBPUTOOPJDPQFR-UHFFFAOYSA-A
norman_susdat_id: NS00091955
name:
Octasodium octahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.8Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;/q;8*+1/p-16

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-81-0
formula: C18H52N6O24P8.9Na
inchikey: GYYVSCLPWDIQSH-UHFFFAOYSA-A
norman_susdat_id: NS00091340
name:
Nonasodium heptahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.9Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;/q;9*+1/p-16

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-82-1
formula: C18H52N6O24P8.10Na
inchikey: WNEWNUCLRJLDID-UHFFFAOYSA-A
norman_susdat_id: NS00091203
name:
Decasodium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.10Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;/q;10*+1/p-16

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-83-2
formula: C18H52N6O24P8.15Na
inchikey: UXUZJXZZTGXTJC-UHFFFAOYSA-A
norman_susdat_id: NS00091433
name:
Pentadecasodium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.15Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;/q;15*+1/p-16

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-84-3
formula: C18H52N6O24P8.16Na
inchikey: IYYWYYBOYJZYOP-UHFFFAOYSA-A
norman_susdat_id: NS00091439
name:
Hexadecasodium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.16Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;;/q;16*+1/p-16

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-85-4
formula: C18H52N6O24P8.8K
inchikey: XPDUGIMIIIGLMX-UHFFFAOYSA-A
norman_susdat_id: NS00091341
name:
Octapotassium octahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.8K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;/q;8*+1/p-16

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-86-5
formula: C18H52N6O24P8.9K
inchikey: RPHIHSPUZPTKFY-UHFFFAOYSA-A
norman_susdat_id: NS00091956
name:
Nonapotassium heptahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.9K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;/q;9*+1/p-16

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-87-6
formula: C18H52N6O24P8.10K
inchikey: QZLHRTXBUXCXIP-UHFFFAOYSA-A
norman_susdat_id: NS00091957
name:
Decapotassium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.10K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;/q;10*+1/p-16

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-88-7
formula: C18H52N6O24P8.15K
inchikey: SKDSBFFYFBGGKG-UHFFFAOYSA-A
norman_susdat_id: NS00091350
name:
Pentadecapotassium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C18H52N6O24P8.15K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;/q;15*+1/p-16

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93892-90-1
formula: C27H22ClN9O9S3
inchikey: QFGRYMRXLSEGSS-UHFFFAOYSA-N
norman_susdat_id: NS00091210
smiles: Nc5nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)cc2C)c3cccc(c34)S(O)(=O)=O)nc(Cl)n5
name:
2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulpho-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonic acid

inchi:
InChI=1/C27H22ClN9O9S3/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33)


cas: 93892-91-2
formula: C40H28ClN11O18S5
inchikey: BTOVZOFJXVYECN-UHFFFAOYSA-N
norman_susdat_id: NS00091211
name:
7-[[2-[(aminocarbonyl)amino]-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-2-sulphophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid

inchi:
InChI=1/C40H28ClN11O18S5/c41-37-48-39(45-18-5-7-23(24(11-18)46-38(43)55)51-52-26-14-22-16(10-30(26)74(65,66)67)9-19(71(56,57)58)13-29(22)73(62,63)64)50-40(49-37)47-25-12-17(6-8-28(25)72(59,60)61)44-27-15-31(75(68,69)70)34(42)33-32(27)35(53)20-3-1-2-4-21(20)36(33)54/h1-15,44H,42H2,(H3,43,46,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,45,47,48,49,50)

smiles:
OS(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4)c(cc5)S(O)(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O


name: (3-chloro-2-hydroxypropyl)diethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93892-92-3
dtxsid: DTXSID80917324
formula: C12H23ClNO3
inchikey: OSTKAQFMBFJQJS-UHFFFAOYSA-M
norman_susdat_id: NS00064066
pubchem_cid: 3022787
smiles: [Cl-].O=C(OCC[N+](CC)(CC)CC(O)CCl)C=C
inchi:
InChI=1/C12H23ClNO3.ClH/c1-4-12(16)17-8-7-14(5-2,6-3)10-11(15)9-13;/h4,11,15H,1,5-10H2,2-3H3;1H/q+1;/p-1


name: Diethylmethyl[2-[(1-oxoallyl)amino]ethyl]ammonium methyl sulphate
cas: 93892-95-6
dtxsid: DTXSID60917322
formula: C10H20N2O
inchikey: IRKBBKQMDDNBMC-UHFFFAOYSA-N
norman_susdat_id: NS00064067
pubchem_cid: 3022789
smiles: O=C(C=C)NCC[NH2+]C(CC)CC.O=S(=O)([O-])OC
inchi:
InChI=1/C10H20N2O.CH4O4S/c1-4-9(5-2)11-7-8-12-10(13)6-3;1-5-6(2,3)4/h6,9,11H,3-5,7-8H2,1-2H3,(H,12,13);1H3,(H,2,3,4)


name: N-[1,2-dihydroxy-2-[[1-oxo-3-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propyl]amino]ethyl]acrylamide
cas: 93892-96-7
dtxsid: DTXSID00917321
formula: C13H23N5O5
inchikey: GODVJDLFOSJHED-UHFFFAOYSA-N
norman_susdat_id: NS00064068
pubchem_cid: 3022791
smiles: O=C(C=C)NC(O)C(O)NC(=O)CCNCCN1C(=O)NCC1
inchi:
InChI=1/C13H23N5O5/c1-2-9(19)16-11(21)12(22)17-10(20)3-4-14-5-7-18-8-6-15-13(18)23/h2,11-12,14,21-22H,1,3-8H2,(H,15,23)(H,16,19)(H,17,20)


name: 2-((1,1-Dimethylethyl)((4-dodecylphenyl)methyl)amino)ethyl methacrylate hydrochloride
cas: 93892-97-8
chemspiderid: 2289206
dtxsid: DTXSID30239846
formula: C29H49N1O2
inchikey: XUVWBUVJZZNSGE-UHFFFAOYSA-N
norman_susdat_id: NS00039735
pubchem_cid: 92039824
smiles: Cl.CCCCCCCCCCCCc1ccc(CN(CCOC(=O)C(=C)C)C(C)(C)C)cc1
inchi:
InChI=1S/C29H49NO2/c1-7-8-9-10-11-12-13-14-15-16-17-26-18-20-27(21-19-26)24-30(29(4,5)6)22-23-32-28(31)25(2)3/h18-21H,2,7-17,22-24H2,1,3-6H3


name: 2-((1,1-Dimethylethyl)tetradecylamino)ethyl methacrylate hydrobromide
cas: 93892-98-9
chemspiderid: 2289208
dtxsid: DTXSID90239847
formula: C24H47N1O2
inchikey: DAYYPHNBDRMOMU-UHFFFAOYSA-N
norman_susdat_id: NS00039736
pubchem_cid: 21149743
smiles: Br.CCCCCCCCCCCCCCN(CCOC(=O)C(=C)C)C(C)(C)C
inchi:
InChI=1S/C24H47NO2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25(24(4,5)6)20-21-27-23(26)22(2)3/h2,7-21H2,1,3-6H3


name: 2-[(1,1-dimethylethyl)[3-(dodecyloxy)-2-hydroxypropyl]amino]ethyl methacrylate hydrochloride
cas: 93893-00-6
dtxsid: DTXSID30917319
formula: C25H49NO4
inchikey: WSMHGDURJJQEKK-UHFFFAOYSA-N
norman_susdat_id: NS00063059
pubchem_cid: 3022799
smiles: Cl.O=C(OCCN(CC(O)COCCCCCCCCCCCC)C(C)(C)C)C(=C)C
inchi:
InChI=1/C25H49NO4.ClH/c1-7-8-9-10-11-12-13-14-15-16-18-29-21-23(27)20-26(25(4,5)6)17-19-30-24(28)22(2)3;/h23,27H,2,7-21H2,1,3-6H3;1H


name: [[(acetoxy)methyl]octahydro-4,7-methano-1H-indenyl]methyl acrylate
cas: 93893-14-2
formula: C17H24O4
inchikey: OVFUMSCEVVSWKQ-UHFFFAOYSA-N
norman_susdat_id: NS00063939
pubchem_cid: 44150458
smiles: O=C(OCC1(COC(=O)C)CCC2C3CCC(C3)C21)C=C
inchi:
InChI=1/C17H24O4/c1-3-15(19)21-10-17(9-20-11(2)18)7-6-14-12-4-5-13(8-12)16(14)17/h3,12-14,16H,1,4-10H2,2H3


name: Dilutetium trimagnesium dodecanitrate
cas: 93893-17-5
formula: HNO3.1/6Lu.1/2Mg
inchi: InChI=1/2Lu.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1
inchikey: ZMZVAHFTSSDSQH-UHFFFAOYSA-N
norman_susdat_id: NS00091295
smiles:
[Mg+2].[Mg+2].[Mg+2].[Lu+3].[Lu+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Diammonium scandium pentanitrate
cas: 93893-18-6
formula: H3N.5/2HNO3.1/2Sc
inchi: InChI=1/5NO3.2H3N.Sc/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2
inchikey: RLHMPSXCOOXJEG-UHFFFAOYSA-P
norman_susdat_id: NS00091893
smiles:
[NH4+].[NH4+].[Sc+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Diammonium samarium pentanitrate
cas: 93893-19-7
formula: H3N.5/2HNO3.1/2Sm
inchi: InChI=1/5NO3.2H3N.Sm/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+2/p+2
inchikey: UJFKVLVSYQHFGS-UHFFFAOYSA-P
norman_susdat_id: NS00091894
smiles:
[NH4+].[NH4+].[Sm+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Diammonium terbium pentanitrate
cas: 93893-20-0
formula: H3N.5/2HNO3.1/2Tb
inchi: InChI=1/5NO3.2H3N.Tb/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2
inchikey: DWMDUWXVPOGZSW-UHFFFAOYSA-P
norman_susdat_id: NS00091381
smiles:
[NH4+].[NH4+].[Tb+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Trimagnesium diterbium dodecanitrate
cas: 93893-21-1
formula: HNO3.1/4Mg.1/6Tb
inchi: InChI=1/3Mg.12NO3.2Tb/c;;;12*2-1(3)4;;/q3*+2;12*-1;2*+3
inchikey: ZJVGFGWZGOWOTM-UHFFFAOYSA-N
norman_susdat_id: NS00091296
smiles:
[Mg+2].[Mg+2].[Mg+2].[Tb+3].[Tb+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Diammonium thulium pentanitrate
cas: 93893-22-2
formula: H3N.5/2HNO3.1/2Tm
inchi: InChI=1/5NO3.2H3N.Tm/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2
inchikey: JWOMAMWQLFGIPV-UHFFFAOYSA-P
norman_susdat_id: NS00091297
smiles:
[NH4+].[NH4+].[Tm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Trimagnesium dithulium dodecanitrate
cas: 93893-23-3
formula: HNO3.1/4Mg.1/6Tm
inchi: InChI=1/3Mg.12NO3.2Tm/c;;;12*2-1(3)4;;/q3*+2;12*-1;2*+3
inchikey: IBJUMUNRMHDVML-UHFFFAOYSA-N
norman_susdat_id: NS00091895
smiles:
[Mg+2].[Mg+2].[Mg+2].[Tm+3].[Tm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Ammonium ytterbium(3+) disulphate
cas: 93893-24-4
formula: H3N.2H2O4S.Yb
inchikey: KBTQTXXTIDGQFN-UHFFFAOYSA-K
norman_susdat_id: NS00091142
smiles: [NH4+].[Yb+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
inchi:
InChI=1/H3N.2H2O4S.Yb.2H/c;2*1-5(2,3)4;;;/h1H3;2*(H2,1,2,3,4);;;/q;;;+3;;/p-3/rH3N.2H2O4S.H2Yb/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);1H2/q;;;+3/p-3


name: Trimagnesium diytterbium dodecanitrate
cas: 93893-25-5
formula: HNO3.1/4Mg.1/6Yb
inchikey: KUHUOFUCNWPHDN-UHFFFAOYSA-N
norman_susdat_id: NS00091143
inchi:
InChI=1/3Mg.12NO3.2Yb.4H/c;;;12*2-1(3)4;;;;;;/q3*+2;12*-1;2*+2;;;;/r3Mg.12NO3.2H2Yb/c;;;12*2-1(3)4;;/h;;;;;;;;;;;;;;;2*1H2/q3*+2;12*-1;2*+2

smiles:
[Mg+2].[Mg+2].[Mg+2].[Yb+2].[Yb+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: (Z)-N-(2-hydroxyethyl)-N-[2-[(1-oxo-9-octadecenyl)amino]ethyl]glycine
cas: 93893-26-6
formula: C24H46N2O4
inchikey: WZYZRBKYWZVNTR-KTKRTIGZSA-N
norman_susdat_id: NS00062738
pubchem_cid: 20836274
smiles: O=C(O)CN(CCO)CCNC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30/h9-10,27H,2-8,11-22H2,1H3,(H,25,28)(H,29,30)


name: (Z)-N,N-dibutyl-1-(octadec-9-enyl)-5-oxopyrrolidine-3-carboxamide
cas: 93893-27-7
formula: C31H58N2O2
inchikey: RLCHJSBXBCJULN-NXVVXOECSA-N
norman_susdat_id: NS00062754
pubchem_cid: 20836275
smiles: O=C1N(CCCCCCCCC=CCCCCCCCC)CC(C(=O)N(CCCC)CCCC)C1
inchi:
InChI=1/C31H58N2O2/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33-28-29(27-30(33)34)31(35)32(24-8-5-2)25-9-6-3/h15-16,29H,4-14,17-28H2,1-3H3


name: Bis(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate
cas: 93893-32-4
formula: C22H39NO3.C2H4O2
inchikey: UOPIYTYOADSLCY-UHFFFAOYSA-N
norman_susdat_id: NS00091144
smiles: O=C(CCCCCCCC=CCC=CCC=CCC)[NH+](CCO)CCO.[O-]C(C)=O
inchi:
InChI=1/C22H39NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;1-2(3)4/h3-4,6-7,9-10,24-25H,2,5,8,11-21H2,1H3;1H3,(H,3,4)


name: N-[2-[(2-aminoethyl)amino]ethyl]octadeca-9,12-dien-1-amide
cas: 93893-33-5
formula: C22H43N3O
inchikey: YEPGQAAGPHDRPO-UHFFFAOYSA-N
norman_susdat_id: NS00062919
pubchem_cid: 3022805
smiles: O=C(NCCNCCN)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C22H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h6-7,9-10,24H,2-5,8,11-21,23H2,1H3,(H,25,26)


name: N-[2-[(2-aminoethyl)amino]ethyl]-9,12,15-octadecatrienamide
cas: 93893-34-6
formula: C22H41N3O
inchikey: DNMNDVSFVZUBTJ-UHFFFAOYSA-N
norman_susdat_id: NS00062920
pubchem_cid: 3022806
smiles: O=C(NCCNCCN)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C22H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h3-4,6-7,9-10,24H,2,5,8,11-21,23H2,1H3,(H,25,26)


name: N-(2-Ethyl-4-nitrophenyl)dibenzylamine
cas: 93893-37-9
chemspiderid: 2289214
dtxsid: DTXSID10239849
formula: C22H22N2O2
inchikey: KJXWPRQPTLIFSD-UHFFFAOYSA-N
norman_susdat_id: NS00039737
pubchem_cid: 3022807
smiles: CCc1c(ccc(c1)[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C22H22N2O2/c1-2-20-15-21(24(25)26)13-14-22(20)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3


name: N2,N2-dimethyl-N6-(1-oxodecyl)-L-lysine
cas: 93893-39-1
dtxsid: DTXSID20917303
formula: C18H36N2O3
inchikey: LCZPOZSSUMKXJZ-INIZCTEOSA-N
norman_susdat_id: NS00062473
pubchem_cid: 44146864
smiles: O=C(NCCCCC(C(=O)O)N(C)C)CCCCCCCCC
inchi:
InChI=1/C18H36N2O3/c1-4-5-6-7-8-9-10-14-17(21)19-15-12-11-13-16(18(22)23)20(2)3/h16H,4-15H2,1-3H3,(H,19,21)(H,22,23)


name: L-histidine, compound with 5-oxo-L-proline (1:1)
cas: 93893-43-7
formula: C6H9N3O2.C5H7NO3
inchikey: MRBZBSMKMLFMCC-RVZXSAGBSA-N
norman_susdat_id: NS00091901
smiles: N[C@@H](Cc1c[nH]cn1)C(=O)O.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C6H9N3O2.C5H7NO3/c7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3(6-4)5(8)9/h2-3,5H,1,7H2,(H,8,9)(H,10,11);3H,1-2H2,(H,6,7)(H,8,9)


name: 2-(2-Methylphenoxy)-5-nitrobenzenesulphonic acid
cas: 93893-57-3
chemspiderid: 2289218
dtxsid: DTXSID80239851
formula: C13H11N1O6S1
inchikey: FIBJEQINQFELMJ-UHFFFAOYSA-N
norman_susdat_id: NS00039739
pubchem_cid: 3022811
smiles: Cc1c(Oc2c(cc(cc2)[N+](=O)[O-])S(=O)(=O)O)cccc1
inchi:
InChI=1S/C13H11NO6S/c1-9-4-2-3-5-11(9)20-12-7-6-10(14(15)16)8-13(12)21(17,18)19/h2-8H,1H3,(H,17,18,19)


name: 5-Amino-2-(o-tolyloxy)benzenesulphonic acid
cas: 93893-58-4
chemspiderid: 2289219
dtxsid: DTXSID40239852
formula: C13H13N1O4S1
inchikey: XSPLXTVIPOKKOJ-UHFFFAOYSA-N
norman_susdat_id: NS00039740
pubchem_cid: 3022812
smiles: Cc1c(Oc2c(cc(N)cc2)S(=O)(=O)O)cccc1
inchi:
InChI=1S/C13H13NO4S/c1-9-4-2-3-5-11(9)18-12-7-6-10(14)8-13(12)19(15,16)17/h2-8H,14H2,1H3,(H,15,16,17)


name: 3-Amino-4-hydroxy-N-(3-(1-methylethoxy)propyl)benzenesulphonamide
cas: 93893-59-5
chemspiderid: 2289220
dtxsid: DTXSID00239853
formula: C12H20N2O4S1
inchikey: TVJSIHWAQKKXKD-UHFFFAOYSA-N
norman_susdat_id: NS00039741
pubchem_cid: 3022813
smiles: CC(C)OCCCNS(=O)(=O)c1cc(N)c(O)cc1
inchi:
InChI=1S/C12H20N2O4S/c1-9(2)18-7-3-6-14-19(16,17)10-4-5-12(15)11(13)8-10/h4-5,8-9,14-15H,3,6-7,13H2,1-2H3


cas: 93893-60-8
formula: C17H17N6O6S
inchikey: KWQRKHQALGGEBF-UHFFFAOYSA-N
norman_susdat_id: NS00062479
pubchem_cid: 3022814
smiles: O=C1N(N=C(C)C1N=NC=2C=C(C=C(C2O)[N+](=O)[O-])C)C3=CC=CC(=C3)S(=O)(=O)N
name:
3-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide

inchi:
InChI=1/C17H16N6O6S/c1-9-6-13(16(24)14(7-9)23(26)27)19-20-15-10(2)21-22(17(15)25)11-4-3-5-12(8-11)30(18,28)29/h3-8,15,24H,1-2H3,(H2,18,28,29)


cas: 93893-61-9
formula: C21H25N6O6S
inchikey: MBPFRQUBNCXWGR-UHFFFAOYSA-N
norman_susdat_id: NS00062946
pubchem_cid: 3022815
smiles: O=C1N(N=C(C)C1N=NC=2C=C(C=C(C2O)[N+](=O)[O-])C(C)(C)CC)C3=CC=CC(=C3)S(=O)(=O)N
name:
3-[4-[[5-(1,1-dimethylpropyl)-2-hydroxy-3-nitrophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide

inchi:
InChI=1/C21H24N6O6S/c1-5-21(3,4)13-9-16(19(28)17(10-13)27(30)31)23-24-18-12(2)25-26(20(18)29)14-7-6-8-15(11-14)34(22,32)33/h6-11,18,28H,5H2,1-4H3,(H2,22,32,33)


name: 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-6-hydroxynaphthalene-1-sulphonic acid
cas: 93893-62-0
formula: C20H16N4O5S
inchikey: VQQVOVNXPALKHE-UHFFFAOYSA-N
norman_susdat_id: NS00062500
pubchem_cid: 3022816
smiles: O=C1N(N=C(C)C1N=NC=2C(O)=CC=C3C2C=CC=C3S(=O)(=O)O)C=4C=CC=CC4
inchi:
InChI=1/C20H16N4O5S/c1-12-18(20(26)24(23-12)13-6-3-2-4-7-13)21-22-19-15-8-5-9-17(30(27,28)29)14(15)10-11-16(19)25/h2-11,18,25H,1H3,(H,27,28,29)


cas: 93893-63-1
formula: C19H23N5O6S
inchikey: MDVINIAHOVREQE-UHFFFAOYSA-N
norman_susdat_id: NS00063978
pubchem_cid: 3022817
smiles: N#CC1=C(O)NC(=O)C(N=NC2=CC(=CC=C2O)S(=O)(=O)NCCCOC(C)C)=C1C
name:
3-[(5-cyano-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridyl)azo]-4-hydroxy-N-[3-(1-methylethoxy)propyl]benzenesulphonamide

inchi:
InChI=1/C19H23N5O6S/c1-11(2)30-8-4-7-21-31(28,29)13-5-6-16(25)15(9-13)23-24-17-12(3)14(10-20)18(26)22-19(17)27/h5-6,9,11,21,25H,4,7-8H2,1-3H3,(H2,22,26,27)


name: Methyl [7-hydroxy-8-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]-1-naphthyl]-carbamate
cas: 93893-64-2
formula: C19H17N3O6S
inchikey: ZPAXDLOKQDURNR-UHFFFAOYSA-N
norman_susdat_id: NS00063979
pubchem_cid: 172513
smiles: O=C(OC)NC=1C=CC=C2C=CC(O)=C(N=NC3=CC(=CC=C3O)S(=O)(=O)C)C21
inchi:
InChI=1/C19H17N3O6S/c1-28-19(25)20-13-5-3-4-11-6-8-16(24)18(17(11)13)22-21-14-10-12(29(2,26)27)7-9-15(14)23/h3-10,23-24H,1-2H3,(H,20,25)


name: N-(2-cyanoethyl)-O-methyl-N-phenyl-ß-alanine monoacetate
cas: 93893-66-4
formula: C13H16N2O2.C2H4O2
inchikey: GFRRNHZVFCFETR-UHFFFAOYSA-N
norman_susdat_id: NS00091909
smiles: COC(=O)CCN(CCC#N)c1ccccc1.CC(=O)O
inchi:
InChI=1/C13H16N2O2.C2H4O2/c1-17-13(16)8-11-15(10-5-9-14)12-6-3-2-4-7-12;1-2(3)4/h2-4,6-7H,5,8,10-11H2,1H3;1H3,(H,3,4)


name: 1-[(4-chlorophenyl)methyl]-5-ethyl-2-methylpyridinium chloride
cas: 93893-67-5
dtxsid: DTXSID00917285
formula: C15H17ClN
inchikey: HQJDXZLNKIXPQI-UHFFFAOYSA-M
norman_susdat_id: NS00062947
pubchem_cid: 16205847
smiles: [Cl-].ClC1=CC=C(C=C1)C[N+]2=CC(=CC=C2C)CC
inchi:
InChI=1/C15H17ClN.ClH/c1-3-13-5-4-12(2)17(10-13)11-14-6-8-15(16)9-7-14;/h4-10H,3,11H2,1-2H3;1H/q+1;/p-1


name: 4,4'-methylenebis[6-(tert-butyl)-1,1,3,3-tetramethylindan-5-ol]
cas: 93893-68-6
dtxsid: DTXSID40917284
formula: C35H52O2
inchikey: YFVWRGVVIOMGGV-UHFFFAOYSA-N
norman_susdat_id: NS00063980
pubchem_cid: 44146380
smiles: OC1=C(C=C2C(=C1CC=3C(O)=C(C=C4C3C(C)(C)CC4(C)C)C(C)(C)C)C(C)(C)CC2(C)C)C(C)(C)C
inchi:
InChI=1/C35H52O2/c1-30(2,3)24-16-22-26(34(11,12)18-32(22,7)8)20(28(24)36)15-21-27-23(33(9,10)19-35(27,13)14)17-25(29(21)37)31(4,5)6/h16-17,36-37H,15,18-19H2,1-14H3


name: 2,2'-(2-methylpropylidene)bis[6-(2-methylpropyl)-p-cresol]
cas: 93893-70-0
dtxsid: DTXSID20917282
formula: C26H38O2
inchikey: IZVALQGISZYFAI-UHFFFAOYSA-N
norman_susdat_id: NS00063981
pubchem_cid: 44154203
smiles: OC=1C(=CC(=CC1C(C=2C=C(C=C(C2O)CC(C)C)C)C(C)C)C)CC(C)C
inchi:
InChI=1/C26H38O2/c1-15(2)9-20-11-18(7)13-22(25(20)27)24(17(5)6)23-14-19(8)12-21(26(23)28)10-16(3)4/h11-17,24,27-28H,9-10H2,1-8H3


name: 2,2'-methylenebis[6-cyclooctyl-p-cresol]
cas: 93893-71-1
dtxsid: DTXSID60917281
formula: C31H44O2
inchikey: UENGFOPWDIIZTB-UHFFFAOYSA-N
norman_susdat_id: NS00062501
pubchem_cid: 44150507
smiles: OC=1C(=CC(=CC1C2CCCCCCC2)C)CC3=CC(=CC(=C3O)C4CCCCCCC4)C
inchi:
InChI=1/C31H44O2/c1-22-17-26(30(32)28(19-22)24-13-9-5-3-6-10-14-24)21-27-18-23(2)20-29(31(27)33)25-15-11-7-4-8-12-16-25/h17-20,24-25,32-33H,3-16,21H2,1-2H3


name: 2,2'-(2-methylpropylidene)bis[6-cyclopentyl-4-(1,1-dimethylethyl)phenol]
cas: 93893-77-7
dtxsid: DTXSID30917278
formula: C34H50O2
inchikey: UQRAQGTURJVHCG-UHFFFAOYSA-N
norman_susdat_id: NS00063982
pubchem_cid: 23471255
smiles: OC=1C(=CC(=CC1C2CCCC2)C(C)(C)C)C(C3=CC(=CC(=C3O)C4CCCC4)C(C)(C)C)C(C)C
inchi:
InChI=1/C34H50O2/c1-21(2)30(28-19-24(33(3,4)5)17-26(31(28)35)22-13-9-10-14-22)29-20-25(34(6,7)8)18-27(32(29)36)23-15-11-12-16-23/h17-23,30,35-36H,9-16H2,1-8H3


name: 2,2'-(2-methylpropylidene)bis[6-(1,1-dimethylethyl)-4-(1-methylethyl)phenol]
cas: 93893-79-9
dtxsid: DTXSID10917276
formula: C30H46O2
inchikey: YGLXHCPIKWCYEU-UHFFFAOYSA-N
norman_susdat_id: NS00062948
pubchem_cid: 44149604
smiles: OC=1C(=CC(=CC1C(C)(C)C)C(C)C)C(C2=CC(=CC(=C2O)C(C)(C)C)C(C)C)C(C)C
inchi:
InChI=1/C30H46O2/c1-17(2)20-13-22(27(31)24(15-20)29(7,8)9)26(19(5)6)23-14-21(18(3)4)16-25(28(23)32)30(10,11)12/h13-19,26,31-32H,1-12H3


name: Benzyldiethyl[1-methyl-2-[(1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93893-80-2
dtxsid: DTXSID50917275
formula: C17H26NO2
inchikey: GATVKFLENXZRJT-UHFFFAOYSA-M
norman_susdat_id: NS00063983
pubchem_cid: 3022820
smiles: [Cl-].O=C(OCC(C)[N+](CC=1C=CC=CC1)(CC)CC)C=C
inchi:
InChI=1/C17H26NO2.ClH/c1-5-17(19)20-14-15(4)18(6-2,7-3)13-16-11-9-8-10-12-16;/h5,8-12,15H,1,6-7,13-14H2,2-4H3;1H/q+1;/p-1


name: Benzyldiethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride
cas: 93893-81-3
dtxsid: DTXSID90917274
formula: C17H26NO2
inchikey: IGTCXXWHHMXOGL-UHFFFAOYSA-M
norman_susdat_id: NS00062503
pubchem_cid: 3022822
smiles: [Cl-].O=C(OC(C)C[N+](CC=1C=CC=CC1)(CC)CC)C=C
inchi:
InChI=1/C17H26NO2.ClH/c1-5-17(19)20-15(4)13-18(6-2,7-3)14-16-11-9-8-10-12-16;/h5,8-12,15H,1,6-7,13-14H2,2-4H3;1H/q+1;/p-1


name: 2-hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate
cas: 93893-82-4
formula: C12H19N3O5
inchikey: DSMSRPBXKPPAFV-IHWYPQMZSA-N
norman_susdat_id: NS00062962
pubchem_cid: 20833809
smiles: O=C(OC(C)CO)C=CC(=O)NCCN1C(=O)NCC1
inchi:
InChI=1/C12H19N3O5/c1-9(8-16)20-11(18)3-2-10(17)13-4-6-15-7-5-14-12(15)19/h2-3,9,16H,4-8H2,1H3,(H,13,17)(H,14,19)


name: 6-dodecyl-a-D-glucose
cas: 93894-01-0
dtxsid: DTXSID20917262
formula: C18H36O6
inchikey: REQMKPPZCDBDLQ-BSDSXHPESA-N
norman_susdat_id: NS00064027
pubchem_cid: 99120788
smiles: O=CC(O)C(O)C(O)C(O)COCCCCCCCCCCCC
inchi:
InChI=1/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-24-14-16(21)18(23)17(22)15(20)13-19/h13,15-18,20-23H,2-12,14H2,1H3


name: 1,4:3,6-dianhydro-D-mannitol didodecanoate
cas: 93894-02-1
formula: C30H54O6
inchikey: PVLSEUVJZATYSQ-OIWKEWRZSA-N
norman_susdat_id: NS00091406
smiles: CCCCCCCCCCCC(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)CCCCCCCCCCC
inchi:
InChI=1/C30H54O6/c1-3-5-7-9-11-13-15-17-19-21-27(31)35-25-23-33-30-26(24-34-29(25)30)36-28(32)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24H2,1-2H3


name: Aluminium (Z)-hexadec-9-enoate
cas: 93894-06-5
formula: C16H30O2.1/3Al
inchikey: YITMMULRTZBHKV-LWTKGLMZSA-K
norman_susdat_id: NS00091407
smiles: [Al+3].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/3C16H30O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;;+3/p-3


name: Cadmium (Z)-hexadec-9-enoate
cas: 93894-10-1
formula: C16H30O2.1/2Cd
inchikey: PCXAAOBILAIRKV-ATMONBRVSA-L
norman_susdat_id: NS00091937
smiles: [Cd+2].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H30O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;+2/p-2


name: Octadecanoic acid, 2-(2-butoxyethoxy)ethyl ester
cas: 93894-13-4
chemspiderid: 2289230
dtxsid: DTXSID0074637
formula: C26H52O4
inchikey: JFLVPDTYNNSVGH-UHFFFAOYSA-N
norman_susdat_id: NS00039743
pubchem_cid: 3022830
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC
inchi:
InChI=1S/C26H52O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(27)30-25-24-29-23-22-28-21-6-4-2/h3-25H2,1-2H3


name: 2-(2-Butoxyethoxy)ethyl palmitate
cas: 93894-14-5
chemspiderid: 2289231
dtxsid: DTXSID20239855
formula: C24H48O4
inchikey: TXEMJSOGSIWQCD-UHFFFAOYSA-N
norman_susdat_id: NS00039744
pubchem_cid: 3022831
smiles: CCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC
inchi:
InChI=1S/C24H48O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24(25)28-23-22-27-21-20-26-19-6-4-2/h3-23H2,1-2H3


name: 2-(2-Butoxyethoxy)ethyl docosanoate
cas: 93894-15-6
chemspiderid: 2289232
dtxsid: DTXSID80239856
formula: C30H60O4
inchikey: IGAFVWYTUFDIMM-UHFFFAOYSA-N
norman_susdat_id: NS00039745
pubchem_cid: 3022832
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC
inchi:
InChI=1S/C30H60O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(31)34-29-28-33-27-26-32-25-6-4-2/h3-29H2,1-2H3


name: Allylbis(2-hydroxyethyl)octadecylammonium chloride
cas: 93894-16-7
dtxsid: DTXSID90917254
formula: C25H52NO2
inchikey: SCZZOCYLUDAHFS-UHFFFAOYSA-M
norman_susdat_id: NS00062525
pubchem_cid: 3086381
smiles: [Cl-].OCC[N+](CC=C)(CCO)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H52NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(20-4-2,22-24-27)23-25-28;/h4,27-28H,2-3,5-25H2,1H3;1H/q+1;/p-1


name: Allylhexadecylbis(2-hydroxyethyl)ammonium chloride
cas: 93894-17-8
dtxsid: DTXSID30917253
formula: C23H48NO2
inchikey: RDEXKPJRNKODRL-UHFFFAOYSA-M
norman_susdat_id: NS00064028
pubchem_cid: 21149746
smiles: [Cl-].OCC[N+](CC=C)(CCO)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H48NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(18-4-2,20-22-25)21-23-26;/h4,25-26H,2-3,5-23H2,1H3;1H/q+1;/p-1


name: Allylbis(2-hydroxyethyl)tetradecylammonium chloride
cas: 93894-18-9
dtxsid: DTXSID70917252
formula: C21H44NO2
inchikey: NHJBVVXYVGXMRS-UHFFFAOYSA-M
norman_susdat_id: NS00062964
pubchem_cid: 21149748
smiles: [Cl-].OCC[N+](CC=C)(CCO)CCCCCCCCCCCCCC
inchi:
InChI=1/C21H44NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22(16-4-2,18-20-23)19-21-24;/h4,23-24H,2-3,5-21H2,1H3;1H/q+1;/p-1


name: Allyldodecylbis(2-hydroxyethyl)ammonium chloride
cas: 93894-19-0
dtxsid: DTXSID10917251
formula: C19H40NO2
inchikey: NFMBXLINPLPHFK-UHFFFAOYSA-M
norman_susdat_id: NS00062965
pubchem_cid: 21149750
smiles: [Cl-].OCC[N+](CC=C)(CCO)CCCCCCCCCCCC
inchi:
InChI=1/C19H40NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-15-20(14-4-2,16-18-21)17-19-22;/h4,21-22H,2-3,5-19H2,1H3;1H/q+1;/p-1


name: [2-[(1-methoxydecyl)oxy]ethyl]benzene
cas: 93894-22-5
dtxsid: DTXSID40917249
formula: C19H32O2
inchikey: XLUFTQHSDFJRJC-UHFFFAOYSA-N
norman_susdat_id: NS00062527
pubchem_cid: 3022840
smiles: O(C)C(OCCC=1C=CC=CC1)CCCCCCCCC
inchi:
InChI=1/C19H32O2/c1-3-4-5-6-7-8-12-15-19(20-2)21-17-16-18-13-10-9-11-14-18/h9-11,13-14,19H,3-8,12,15-17H2,1-2H3


name: (Z)-[2-(3,7-dimethyl-2,6-octadienyloxy)-2-methoxyethyl]benzene
cas: 93894-23-6
formula: C19H28O2
inchikey: QKRGIVHDLCRAPW-LGMDPLHJSA-N
norman_susdat_id: NS00062785
pubchem_cid: 20836277
smiles: O(C)C(OCC=C(C)CCC=C(C)C)CC=1C=CC=CC1
inchi:
InChI=1/C19H28O2/c1-16(2)9-8-10-17(3)13-14-21-19(20-4)15-18-11-6-5-7-12-18/h5-7,9,11-13,19H,8,10,14-15H2,1-4H3


name: (Z)-1-[(3,7-dimethyl-2,6-octadienyl)oxy]-1-methoxydecane
cas: 93894-25-8
formula: C21H40O2
inchikey: UANRNVCGCSJMLJ-JZJYNLBNSA-N
norman_susdat_id: NS00062799
pubchem_cid: 20836278
smiles: O(C)C(OCC=C(C)CCC=C(C)C)CCCCCCCCC
inchi:
InChI=1/C21H40O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h14,17,21H,6-13,15-16,18H2,1-5H3


name: 1-[(3,7-dimethyl-6-octenyl)oxy]-1-methoxydecane
cas: 93894-28-1
dtxsid: DTXSID20917247
formula: C21H42O2
inchikey: JVPUXLNHNKOZAQ-UHFFFAOYSA-N
norman_susdat_id: NS00064030
pubchem_cid: 3022844
smiles: O(C)C(OCCC(C)CCC=C(C)C)CCCCCCCCC
inchi:
InChI=1/C21H42O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h14,20-21H,6-13,15-18H2,1-5H3


name: 2,6-dimethyl-8,8-bis(2-phenylethoxy)octan-2-ol
cas: 93894-29-2
dtxsid: DTXSID60917246
formula: C26H38O3
inchikey: BZYVVVVWNQNWHX-UHFFFAOYSA-N
norman_susdat_id: NS00062983
pubchem_cid: 3022845
smiles: OC(C)(C)CCCC(C)CC(OCCC=1C=CC=CC1)OCCC=2C=CC=CC2
inchi:
InChI=1/C26H38O3/c1-22(11-10-18-26(2,3)27)21-25(28-19-16-23-12-6-4-7-13-23)29-20-17-24-14-8-5-9-15-24/h4-9,12-15,22,25,27H,10-11,16-21H2,1-3H3


name: Methyl 2-[[[4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]methylene]amino]benzoate
cas: 93894-30-5
formula: C21H27NO2
inchikey: CORQKFQGCLVVJA-UHFFFAOYSA-N
norman_susdat_id: NS00062984
pubchem_cid: 3022846
smiles: O=C(OC)C=1C=CC=CC1N=CC2CC=C(CCC=C(C)C)CC2
inchi:
InChI=1/C21H27NO2/c1-16(2)7-6-8-17-11-13-18(14-12-17)15-22-20-10-5-4-9-19(20)21(23)24-3/h4-5,7,9-11,15,18H,6,8,12-14H2,1-3H3


name: 1,1'-[2-methyl-3-(pent-2-enyl)-2-cyclopenten-1-ylidene]bis(1H-indole)
cas: 93894-31-6
formula: C27H28N2
inchikey: VLBFAFALCBOIEQ-UHFFFAOYSA-N
norman_susdat_id: NS00062801
pubchem_cid: 57356224
smiles: C=1C=CC2=C(C1)C=CN2C3(C(=C(CC=CCC)CC3)C)N4C=CC=5C=CC=CC54
inchi:
InChI=1/C27H28N2/c1-3-4-5-10-22-15-18-27(21(22)2,28-19-16-23-11-6-8-13-25(23)28)29-20-17-24-12-7-9-14-26(24)29/h4-9,11-14,16-17,19-20H,3,10,15,18H2,1-2H3


name: 1,1'-(3,7-dimethylocta-2,6-dienylidene)bis(1H-indole)
cas: 93894-32-7
formula: C26H28N2
inchikey: XSHXVCYGTIAJFF-UHFFFAOYSA-N
norman_susdat_id: NS00062988
pubchem_cid: 57356225
smiles: C=1C=CC2=C(C1)C=CN2C(C=C(C)CCC=C(C)C)N3C=CC=4C=CC=CC43
inchi:
InChI=1/C26H28N2/c1-20(2)9-8-10-21(3)19-26(27-17-15-22-11-4-6-13-24(22)27)28-18-16-23-12-5-7-14-25(23)28/h4-7,9,11-19,26H,8,10H2,1-3H3


name: 1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propane-1-sulphonic anhydride
cas: 93894-52-1
chemspiderid: 21165951
dtxsid: DTXSID20881116
formula: C8F18O5S2
inchikey: DMRUAQMVQHUQQD-UHFFFAOYSA-N
norman_susdat_id: NS00019327
pubchem_cid: 44150164
smiles: FC(F)(F)C(F)(C(F)(F)F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C8F18O5S2/c9-1(3(11,12)13,4(14,15)16)7(23,24)32(27,28)31-33(29,30)8(25,26)2(10,5(17,18)19)6(20,21)22


name: 1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic anhydride
cas: 93894-55-4
chemspiderid: 21165952
dtxsid: DTXSID80881117
formula: C8H2F16O5S2
inchikey: PKXOFTHSSGMAGM-UHFFFAOYSA-N
norman_susdat_id: NS00011143
pubchem_cid: 44147016
smiles: FC(F)C(F)(F)C(F)(F)C(F)(F)[S](=O)(=O)O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
inchi:
InChI=1S/C8H2F16O5S2/c9-1(10)3(13,14)5(17,18)7(21,22)30(25,26)29-31(27,28)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H


name: Isooctanesulfonamide, heptadecafluoro-
cas: 93894-56-5
chemspiderid: 57490725
dtxsid: DTXSID40881118
formula: C8H2F17N1O2S1
inchikey: LIDOVKZSCIIYGP-UHFFFAOYSA-N
norman_susdat_id: NS00011315
pubchem_cid: 44145266
smiles: N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C8H2F17NO2S/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15)5(16,17)8(24,25)29(26,27)28/h(H2,26,27,28)


name: Isooctanesulfonamide, heptadecafluoro-N-(2-hydroxyethyl)-N-methyl-
cas: 93894-65-6
chemspiderid: 34997612
dtxsid: DTXSID10881120
formula: C11H8F17N1O3S1
inchikey: GWYDYLUBKYFIHN-UHFFFAOYSA-N
norman_susdat_id: NS00011321
pubchem_cid: 44150469
smiles: CN(CCO)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C11H8F17NO3S/c1-29(2-3-30)33(31,32)11(27,28)8(19,20)7(17,18)6(15,16)5(13,14)4(12,9(21,22)23)10(24,25)26/h30H,2-3H2,1H3


name: Isooctanesulfonamide, heptadecafluoro-N,N-bis(2-hydroxyethyl)-
cas: 93894-66-7
chemspiderid: 31149925
dtxsid: DTXSID70881121
formula: C12H10F17N1O4S1
inchikey: AGKZAFDQVNHYRO-UHFFFAOYSA-N
norman_susdat_id: NS00011330
pubchem_cid: 44152238
smiles: OCCN(CCO)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C12H10F17NO4S/c13-5(10(22,23)24,11(25,26)27)6(14,15)7(16,17)8(18,19)9(20,21)12(28,29)35(33,34)30(1-3-31)2-4-32/h31-32H,1-4H2


name: Isooctanesulfonic acid, heptadecafluoro-, lithium salt
cas: 93894-67-8
chemspiderid: 57495155
dtxsid: DTXSID30881122
formula: C8H1F17O3S1
inchikey: NIKYAXWJPSOKTP-UHFFFAOYSA-N
norman_susdat_id: NS00011423
pubchem_cid: 44147115
smiles: [Li+].[O-][S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C8HF17O3S.Li/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15)5(16,17)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1


name: Heptadecafluoro-N-methylisooctanesulphonamide
cas: 93894-71-4
chemspiderid: 31149924
dtxsid: DTXSID10881125
formula: C9H4F17N1O2S1
inchikey: ZGKQZNCLVBOAST-UHFFFAOYSA-N
norman_susdat_id: NS00011316
pubchem_cid: 44147267
smiles: CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)6(17,18)5(15,16)4(13,14)3(11,12)2(10,7(19,20)21)8(22,23)24/h27H,1H3


name: Diethyl(3-(((heptadecafluoroisooctyl)sulphonyl)amino)propyl)methylammonium iodide
cas: 93894-72-5
chemspiderid: 34996684
dtxsid: DTXSID70881126
formula: C16H20F17N2O2S1
inchikey: GFKVYUIOBFJCSX-UHFFFAOYSA-M
norman_susdat_id: NS00019329
pubchem_cid: 44145347
smiles: [I-].CC[N+](C)(CC)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C16H20F17N2O2S/c1-4-35(3,5-2)8-6-7-34-38(36,37)16(32,33)13(24,25)12(22,23)11(20,21)10(18,19)9(17,14(26,27)28)15(29,30)31/h34H,4-8H2,1-3H3/q+1


name: Magnesium heptadecafluoroisooctanesulphonate
cas: 93894-73-6
dtxsid: DTXSID30881127
formula: C16F34MgO6S2
inchikey: ZQQFWJXMJMALCF-UHFFFAOYSA-L
norman_susdat_id: NS00109919
inchi:
InChI=1S/2C8HF17O3S.Mg/c2*9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15)5(16,17)8(24,25)29(26,27)28;/h2*(H,26,27,28);/q;;+2/p-2

smiles:
[Mg++].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 93894-74-7
chemspiderid: NA
dtxsid: DTXSID90881128
formula: C38H50F17N3O6S1
inchikey: VPUBPEWSNIAMAS-UHFFFAOYSA-N
norman_susdat_id: NS00019330
pubchem_cid: NA
name:
Carbamic acid, [5-[[[2-[[(heptadecafluoroisooctyl)sulfonyl]methylamino]ethoxy]carbonyl]amino]-2-methylphenyl]-, 9-octadecenyl ester

inchi:
InChI=1S/C38H50F17N3O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-63-30(60)57-28-25-27(21-20-26(28)2)56-29(59)64-24-22-58(3)65(61,62)38(54,55)35(46,47)34(44,45)33(42,43)32(40,41)31(39,36(48,49)50)37(51,52)53/h11-12,20-21,25H,4-10,13-19,22-24H2,1-3H3,(H,56,59)(H,57,60)/b12-11+

smiles:
CCCCCCCCC=CCCCCCCCCOC(=O)NC1=CC(NC(=O)OCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=CC=C1C


name: (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl cinnamate
cas: 93904-38-2
formula: C19H22O2
inchikey: JQKXXCDIJZYTEZ-DHZHZOJOSA-N
norman_susdat_id: NS00062338
pubchem_cid: 23757243
smiles: O=C(OCC1=CCC2CC1C2(C)C)C=CC=3C=CC=CC3
inchi:
InChI=1/C19H22O2/c1-19(2)16-10-9-15(17(19)12-16)13-21-18(20)11-8-14-6-4-3-5-7-14/h3-9,11,16-17H,10,12-13H2,1-2H3


name: Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulphonate
cas: 93904-39-3
dtxsid: DTXSID40239872
formula: C22H18N2O5S
inchikey: CELSKHGNWHNXED-UHFFFAOYSA-M
norman_susdat_id: NS00062817
pubchem_cid: 3022852
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)C)NC4=CC=C(C(=C4)S(=O)(=O)[O-])C
inchi:
InChI=1/C22H18N2O5S.Na/c1-11-7-8-13(10-17(11)30(27,28)29)24-16-9-12(2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1


name: 8-(1H-benzimidazol-2-yl)-2-methyl-1H-benzimidazo[1,2-a]isoquino[5,4-fg]quinoline-1,3(2H)-dione
cas: 93904-40-6
dtxsid: DTXSID30917233
formula: C29H17N5O2
inchikey: YLANRMOGWMCRLK-UHFFFAOYSA-N
norman_susdat_id: NS00063816
pubchem_cid: 15597619
smiles: O=C1C2=CC=CC=3C=4C=C(C5=NC=6C=CC=CC6N5)C7=NC=8C=CC=CC8N7C4C=C(C(=O)N1C)C23
inchi:
InChI=1/C29H17N5O2/c1-33-28(35)16-8-6-7-15-17-13-19(26-30-20-9-2-3-10-21(20)31-26)27-32-22-11-4-5-12-23(22)34(27)24(17)14-18(25(15)16)29(33)36/h2-14H,1H3,(H,30,31)


cas: 93904-41-7
formula: C23H20N2O12S3.2Na
inchikey: FFYZIGZNMFAHFO-UHFFFAOYSA-L
norman_susdat_id: NS00091236
smiles: [Na+].[Na+].COc1ccc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-]
name:
Disodium 1-amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C23H20N2O12S3.2Na/c1-36-17-7-6-12(38(28,29)9-8-37-40(33,34)35)10-15(17)25-16-11-18(39(30,31)32)21(24)20-19(16)22(26)13-4-2-3-5-14(13)23(20)27;;/h2-7,10-11,25H,8-9,24H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


name: Sodium 2-[[3-[(8-acetamido-2-hydroxy-1-naphthyl)azo]-4-hydroxyphenyl]sulphonyl]ethyl sulphate
cas: 93904-45-1
formula: C20H19N3O9S2
inchikey: JLNGXBGSVRPDNM-UHFFFAOYSA-M
norman_susdat_id: NS00062339
pubchem_cid: 3022856
smiles: [Na+].O=C(NC=1C=CC=C2C=CC(O)=C(N=NC3=CC(=CC=C3O)S(=O)(=O)CCOS(=O)(=O)[O-])C21)C
inchi:
InChI=1/C20H19N3O9S2.Na/c1-12(24)21-15-4-2-3-13-5-7-18(26)20(19(13)15)23-22-16-11-14(6-8-17(16)25)33(27,28)10-9-32-34(29,30)31;/h2-8,11,25-26H,9-10H2,1H3,(H,21,24)(H,29,30,31);/q;+1/p-1


cas: 93904-46-2
formula: C18H18N5O10S2
inchikey: JOPHVJDAOSNSKD-UHFFFAOYSA-N
norman_susdat_id: NS00062641
pubchem_cid: NA
smiles: [Na+].[K+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2O)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O
name:
2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-3H-pyrazol-3-one, potassium sodium salt

inchi:
InChI=1/C18H17N5O10S2.K.Na/c1-11-17(20-19-15-10-13(23(26)27)4-7-16(15)24)18(25)22(21-11)12-2-5-14(6-3-12)34(28,29)9-8-33-35(30,31)32;;/h2-7,10,17,24H,8-9H2,1H3,(H,30,31,32);;/q;2*+1


name: [bis(2-acetoxyethyl)-m-tolyl]ammonium acetate
cas: 93904-67-7
dtxsid: DTXSID20917222
formula: C15H21NO4
inchikey: ZPQIRKPXCCBPCY-UHFFFAOYSA-N
norman_susdat_id: NS00063820
pubchem_cid: 3022864
smiles: O=C([O-])C.O=C(OCCC1=CC=C(C(=C1C)CCOC(=O)C)[NH3+])C
inchi:
InChI=1/C15H21NO4.C2H4O2/c1-10-13(6-8-19-11(2)17)4-5-15(16)14(10)7-9-20-12(3)18;1-2(3)4/h4-5H,6-9,16H2,1-3H3;1H3,(H,3,4)


name: [benzyldimethyl[3-[3-(octadecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] chloride
cas: 93904-69-9
dtxsid: DTXSID60917221
formula: C34H59N2O2
inchikey: CYMKTCNFTODMIO-UHFFFAOYSA-M
norman_susdat_id: NS00063821
pubchem_cid: 44145538
smiles: [Cl-].O=C1N(C(=O)C(C1)CCCCCCCCCCCCCCCCCC)CCC[N+](C)(C)CC=2C=CC=CC2
inchi:
InChI=1/C34H59N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-32-29-33(37)35(34(32)38)27-23-28-36(2,3)30-31-24-20-19-21-25-31;/h19-21,24-25,32H,4-18,22-23,26-30H2,1-3H3;1H/q+1;/p-1


name: 2-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]icosenoic acid
cas: 93904-71-3
formula: C30H57NO3
inchikey: VLLQQBHSUBVQDI-UHFFFAOYSA-N
norman_susdat_id: NS00062364
pubchem_cid: 53424068
smiles: O=C(O)C(=CCCCCCCCCCCCCCCCCC)CC(=O)N(CC(C)C)CC(C)C
inchi:
InChI=1/C30H57NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(30(33)34)23-29(32)31(24-26(2)3)25-27(4)5/h22,26-27H,6-21,23-25H2,1-5H3,(H,33,34)


name: 2-[2-(cyclohexylamino)-2-oxoethyl]icosenoic acid
cas: 93904-73-5
formula: C28H51NO3
inchikey: QZAJAODKUPHNHJ-UHFFFAOYSA-N
norman_susdat_id: NS00062834
pubchem_cid: 53424021
smiles: O=C(O)C(=CCCCCCCCCCCCCCCCCC)CC(=O)NC1CCCCC1
inchi:
InChI=1/C28H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(28(31)32)24-27(30)29-26-22-19-17-20-23-26/h21,26H,2-20,22-24H2,1H3,(H,29,30)(H,31,32)


name: 4-nonyl hydrogen 2-octadecenylsuccinate
cas: 93904-75-7
formula: C31H58O4
inchikey: USNYKZJKNVUDFC-UHFFFAOYSA-M
norman_susdat_id: NS00062670
pubchem_cid: NA
smiles: O=C(OCCCCCCCCC)CC(C(=O)[O-])CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C31H58O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-29(31(33)34)28-30(32)35-27-25-23-21-10-8-6-4-2/h22,24,29H,3-21,23,25-28H2,1-2H3,(H,33,34)/p-1


name: 4-(2-phenoxyethyl) hydrogen 2-octadecenylsuccinate
cas: 93904-77-9
formula: C30H48O5
inchikey: ZGESUOVNOUSXPE-UHFFFAOYSA-M
norman_susdat_id: NS00062671
pubchem_cid: NA
smiles: O=C(OCCOC=1C=CC=CC1)CC(C(=O)[O-])CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-27(30(32)33)26-29(31)35-25-24-34-28-22-19-17-20-23-28/h16-20,22-23,27H,2-15,21,24-26H2,1H3,(H,32,33)/p-1


name: 4-(octadecenyl) hydrogen 2-octadecenylsuccinate
cas: 93904-79-1
formula: C40H74O4
inchikey: NZWJLWCSPZNSSE-UHFFFAOYSA-M
norman_susdat_id: NS00063822
pubchem_cid: NA
smiles: O=C(OC=CCCCCCCCCCCCCCCCC)CC(C(=O)[O-])CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(40(42)43)37-39(41)44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33-34,36,38H,3-30,32,35,37H2,1-2H3,(H,42,43)/p-1


name: 2-[2-[(3-morpholinopropyl)amino]-2-oxoethyl]tetradecenoic acid monohydrochloride
cas: 93904-81-5
formula: C23H42N2O4
inchikey: IYWOJBWDYJMOGB-UHFFFAOYSA-N
norman_susdat_id: NS00062835
pubchem_cid: NA
smiles: Cl.O=C(O)C(=CCCCCCCCCCCC)CC(=O)NCCCN1CCOCC1
inchi:
InChI=1/C23H42N2O4.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-21(23(27)28)20-22(26)24-14-12-15-25-16-18-29-19-17-25;/h13H,2-12,14-20H2,1H3,(H,24,26)(H,27,28);1H


name: (acryloylamino)tetradecane-1-sulphonic acid
cas: 93904-82-6
dtxsid: DTXSID00917220
formula: C17H33NO4S
inchikey: FPDCECCVQQURBP-UHFFFAOYSA-N
norman_susdat_id: NS00063823
pubchem_cid: 3022865
smiles: O=C(C=C)NC(CCCCCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C17H33NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(23(20,21)22)18-16(19)4-2/h4,17H,2-3,5-15H2,1H3,(H,18,19)(H,20,21,22)


name: Trisodium hydroxy[(4-sulphonatophenyl)azo]naphthalenedisulphonate
cas: 93904-87-1
formula: C16H12N2O10S3
inchikey: LFSWMDHUWAXIBW-UHFFFAOYSA-K
norman_susdat_id: NS00063824
pubchem_cid: NA
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C(=C(C=3C=CC=CC23)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1
inchi:
InChI=1/C16H12N2O10S3.3Na/c19-14-13(18-17-9-5-7-10(8-6-9)29(20,21)22)11-3-1-2-4-12(11)15(30(23,24)25)16(14)31(26,27)28;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3


name: 1-(2-aminoethyl)-2-(dimethylheptyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium chloride
cas: 93904-88-2
dtxsid: DTXSID70917217
formula: C16H35N3O
inchikey: LPNNGMJEMGWTLS-UHFFFAOYSA-N
norman_susdat_id: NS00062672
pubchem_cid: NA
smiles: [Cl-].OCCN1CC[NH+](CCN)C1C(C)(C)CCCCCC
inchi:
InChI=1/C16H35N3O.ClH/c1-4-5-6-7-8-16(2,3)15-18(10-9-17)11-12-19(15)13-14-20;/h15,20H,4-14,17H2,1-3H3;1H


name: 4-[(4-chloro-2-methylphenyl)azo]-N-(dimethylphenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 93904-90-6
formula: C26H22ClN3O2
inchikey: MPUHUEDCHKWURA-UHFFFAOYSA-N
norman_susdat_id: NS00062366
pubchem_cid: 3022869
smiles: O=C(NC1=CC=CC(=C1C)C)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C=C4C)=C2O
inchi:
InChI=1/C26H22ClN3O2/c1-15-7-6-10-23(17(15)3)28-26(32)21-14-18-8-4-5-9-20(18)24(25(21)31)30-29-22-12-11-19(27)13-16(22)2/h4-14,31H,1-3H3,(H,28,32)


name: 4-[(2-chlorophenyl)azo]-N-(dimethylphenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 93904-91-7
formula: C25H20ClN3O2
inchikey: KRFJHMCNSBQWBK-UHFFFAOYSA-N
norman_susdat_id: NS00063845
pubchem_cid: 3022870
smiles: O=C(NC1=CC=CC(=C1C)C)C2=CC=3C=CC=CC3C(N=NC=4C=CC=CC4Cl)=C2O
inchi:
InChI=1/C25H20ClN3O2/c1-15-8-7-13-21(16(15)2)27-25(31)19-14-17-9-3-4-10-18(17)23(24(19)30)29-28-22-12-6-5-11-20(22)26/h3-14,30H,1-2H3,(H,27,31)


name: Dodecyl-1-naphthol
cas: 93904-93-9
chemspiderid: 2289258
dtxsid: DTXSID40239877
formula: C22H32O1
inchikey: URVHSUKDZZAPTI-UHFFFAOYSA-N
norman_susdat_id: NS00039751
pubchem_cid: 3022871
smiles: CCCCCCCCCCCCC1=C(O)C2=CC=CC=C2C=C1
inchi:
InChI=1S/C22H32O/c1-2-3-4-5-6-7-8-9-10-11-15-20-18-17-19-14-12-13-16-21(19)22(20)23/h12-14,16-18,23H,2-11,15H2,1H3


name: Cumenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 93904-96-2
formula: C9H12O3S.C6H15NO3
inchikey: YPWNBBOBLIKTNO-UHFFFAOYSA-N
norman_susdat_id: NS00091862
smiles: CC(C)c1ccccc1S(=O)(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C9H12O3S.C6H15NO3/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;8-4-1-7(2-5-9)3-6-10/h3-7H,1-2H3,(H,10,11,12);8-10H,1-6H2


name: Sodium hydroxydinonylbenzenesulphonate
cas: 93904-97-3
formula: C24H42O4S.Na
inchikey: MNNQQGJPLGSNCF-UHFFFAOYSA-M
norman_susdat_id: NS00091360
smiles: [Na+].CCCCCCCCCc1ccc(c(O)c1CCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C24H42O4S.Na/c1-3-5-7-9-11-13-15-17-21-19-20-23(29(26,27)28)24(25)22(21)18-16-14-12-10-8-6-4-2;/h19-20,25H,3-18H2,1-2H3,(H,26,27,28);/q;+1/p-1


name: 2-(dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride
cas: 93905-00-1
dtxsid: DTXSID10917211
formula: C16H34N2O2
inchikey: HGGYFXQXWDUDBM-UHFFFAOYSA-N
norman_susdat_id: NS00062701
pubchem_cid: 3022875
smiles: [Cl-].OCCN1CC[NH+](CCO)C1C(C)(C)CCCCCC
inchi:
InChI=1/C16H34N2O2.ClH/c1-4-5-6-7-8-16(2,3)15-17(11-13-19)9-10-18(15)12-14-20;/h15,19-20H,4-14H2,1-3H3;1H


name: 2-(dimethylheptyl)-1-ethyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
cas: 93905-02-3
dtxsid: DTXSID50917210
formula: C16H34N2O
inchikey: TZZSYQPSZZGWFO-UHFFFAOYSA-N
norman_susdat_id: NS00062864
pubchem_cid: 57356238
smiles: O=S(=O)([O-])OCC.OCCN1CC[NH+](CC)C1C(C)(C)CCCCCC
inchi:
InChI=1/C16H34N2O.C2H6O4S/c1-5-7-8-9-10-16(3,4)15-17(6-2)11-12-18(15)13-14-19;1-2-6-7(3,4)5/h15,19H,5-14H2,1-4H3;2H2,1H3,(H,3,4,5)


name: Hexadecyl-o-xylenesulphonic acid
cas: 93905-07-8
dtxsid: DTXSID40917209
formula: C24H42O3S
inchikey: YOVWDOIOLWPVKU-UHFFFAOYSA-N
norman_susdat_id: NS00063876
pubchem_cid: 14205940
smiles: O=S(=O)(O)C=1C(=CC=C(C1C)C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H42O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-21(2)22(3)24(23)28(25,26)27/h19-20H,4-18H2,1-3H3,(H,25,26,27)


name: Rebeccamycin
cas: 93908-02-2
chebiid: CHEBI:135511
chemspiderid: 65891
dtxsid: DTXSID70239880
formula: C27H21Cl2N3O7
inchikey: QEHOIJJIZXRMAN-QZQSLCQPSA-N
norman_susdat_id: NS00011703
pubchem_cid: 73110
smiles: CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)n2c3c(cccc3Cl)c4c2c5c(c6cccc(c6[nH]5)Cl)c7c4C(=O)NC7=O)CO
inchi:
InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1


name: a,<U+03B3>,<U+03B3>-trimethylcyclohexylpropyl acetate
cas: 93917-67-0
formula: C26H46O2
inchikey: QXMVXCHPXAARQG-UHFFFAOYSA-N
norman_susdat_id: NS00062866
pubchem_cid: NA
smiles: O=C(OC(CC(C1(C)CCCCC1)C2(C)CCCCC2)C3(C)CCCCC3)C
inchi:
InChI=1/C26H46O2/c1-21(27)28-23(26(4)18-12-7-13-19-26)20-22(24(2)14-8-5-9-15-24)25(3)16-10-6-11-17-25/h22-23H,5-20H2,1-4H3


name: Ammonium pentadecanoate
cas: 93917-76-1
formula: C15H30O2.H3N
inchi: InChI=1/5C10H20O2.5H3N/c5*1-2-3-4-5-6-7-8-9-10(11)12;;;;;/h5*2-9H2,1H3,(H,11,12);5*1H3
inchikey: STNAXFLAPMLDKU-UHFFFAOYSA-N
norman_susdat_id: NS00091863
smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-]


name: N,N'-[carbonylbis[(ethylimino)ethane-1,2-diyl]]distearamide
cas: 93917-78-3
formula: C45H90N4O3
inchikey: QDAWKYLNEATIFV-UHFFFAOYSA-N
norman_susdat_id: NS00062420
pubchem_cid: 99712751
smiles: O=C(NCCN(C(=O)N(CC)CCNC(=O)CCCCCCCCCCCCCCCCC)CC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C45H90N4O3/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(50)46-39-41-48(7-3)45(52)49(8-4)42-40-47-44(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-42H2,1-4H3,(H,46,50)(H,47,51)


name: 3,3'-methylenebis(4-hydroxybenzenesulphonic) acid
cas: 93917-84-1
dtxsid: DTXSID10917190
formula: C13H12O8S2
inchikey: ANDAIHNNGUNSPQ-UHFFFAOYSA-N
norman_susdat_id: NS00063905
pubchem_cid: 56844089
smiles: O=S(=O)(O)C1=CC=C(O)C(=C1)CC2=CC(=CC=C2O)S(=O)(=O)O
inchi:
InChI=1/C13H12O8S2/c14-12-3-1-10(22(16,17)18)6-8(12)5-9-7-11(23(19,20)21)2-4-13(9)15/h1-4,6-7,14-15H,5H2,(H,16,17,18)(H,19,20,21)


name: 1-(2-aminoethyl)-2-heptadecyl-4,5-dihydro-1-methyl-1H-imidazolium chloride
cas: 93917-85-2
dtxsid: DTXSID00917189
formula: C23H48N3
inchikey: AMMWSRMLVCYQPJ-UHFFFAOYSA-M
norman_susdat_id: NS00062704
pubchem_cid: 44150668
smiles: [Cl-].N1=C(CCCCCCCCCCCCCCCCC)[N+](C)(CC1)CCN
inchi:
InChI=1/C23H48N3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-20-22-26(23,2)21-19-24;/h3-22,24H2,1-2H3;1H/q+1;/p-1


name: Formic acid, compound with N,N'-[ethylenebis(iminoethylene)]bis[stearamide] (1:1)
cas: 93917-86-3
formula: C42H86N4O2.CH2O2
inchikey: LMBILQNMGBKXJE-UHFFFAOYSA-N
norman_susdat_id: NS00091125
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.OC=O
inchi:
InChI=1/C42H86N4O2.CH2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1-3/h43-44H,3-40H2,1-2H3,(H,45,47)(H,46,48);1H,(H,2,3)


name: Butyldodecylbis(2-hydroxyethyl)ammonium chloride
cas: 93917-87-4
dtxsid: DTXSID80917187
formula: C20H44NO2
inchikey: WADNZJUGYHWZKN-UHFFFAOYSA-M
norman_susdat_id: NS00063906
pubchem_cid: 21149755
smiles: [Cl-].OCC[N+](CCO)(CCCC)CCCCCCCCCCCC
inchi:
InChI=1/C20H44NO2.ClH/c1-3-5-7-8-9-10-11-12-13-14-16-21(17-19-22,18-20-23)15-6-4-2;/h22-23H,3-20H2,1-2H3;1H/q+1;/p-1


name: Allyldimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
cas: 93917-88-5
dtxsid: DTXSID20917186
formula: C26H53N2O
inchikey: XGANCXQVIGHLLC-UHFFFAOYSA-N
norman_susdat_id: NS00062705
pubchem_cid: 3022890
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC=C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H52N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(29)27-23-21-25-28(3,4)24-6-2;/h6H,2,5,7-25H2,1,3-4H3;1H


name: Allyldimethyl[3-[(1-oxohexadecyl)amino]propyl]ammonium chloride
cas: 93917-89-6
dtxsid: DTXSID60917185
formula: C24H49N2O
inchikey: BTOTWQWWTSPKAK-UHFFFAOYSA-N
norman_susdat_id: NS00062706
pubchem_cid: 3022892
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC=C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C24H48N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24(27)25-21-19-23-26(3,4)22-6-2;/h6H,2,5,7-23H2,1,3-4H3;1H


name: Allyldimethyl[3-[(1-oxooleyl)amino]propyl]ammonium chloride
cas: 93917-90-9
formula: C26H51N2O
inchikey: SWTDRLHUCDRWQO-HPWRNOGASA-N
norman_susdat_id: NS00063907
pubchem_cid: 44150932
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC=C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H50N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(29)27-23-21-25-28(3,4)24-6-2;/h6,13-14H,2,5,7-12,15-25H2,1,3-4H3;1H


name: Sodium 3-[(5,8-dichloro-1-hydroxy-2-naphthyl)azo]-2-hydroxy-5-nitrobenzenesulphonate
cas: 93917-94-3
formula: C16H10Cl2N3O7S
inchikey: RUNOSWUCOGFPTH-UHFFFAOYSA-M
norman_susdat_id: NS00063668
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC(N=NC=2C=CC=3C(Cl)=CC=C(Cl)C3C2O)=C(O)C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C16H9Cl2N3O7S.Na/c17-9-2-3-10(18)14-8(9)1-4-11(16(14)23)19-20-12-5-7(21(24)25)6-13(15(12)22)29(26,27)28;/h1-6,22-23H,(H,26,27,28);/q;+1/p-1


cas: 93917-96-5
dtxsid: DTXSID80917182
formula: C39H41N2O9S3
inchikey: HNUMDFDFKDUHMA-UHFFFAOYSA-N
norman_susdat_id: NS00062659
pubchem_cid: NA
name:
Dihydrogen (ethyl)[4-[a-[4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]-4-sulphonatobenzylidene]-3-methylcyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium

inchi:
InChI=1/C39H40N2O9S3.2H2/c1-5-40(25-29-9-7-11-35(23-29)52(45,46)47)32-15-19-37(27(3)21-32)39(31-13-17-34(18-14-31)51(42,43)44)38-20-16-33(22-28(38)4)41(6-2)26-30-10-8-12-36(24-30)53(48,49)50;;/h7-24H,5-6,25-26H2,1-4H3,(H2-,42,43,44,45,46,47,48,49,50);2*1H/q;2*+1/p-2

smiles:
[H+].[H+].O=S(=O)([O-])C1=CC=C(C=C1)C(C2=CC=C(C=C2C)N(CC3=CC=CC(=C3)S(=O)(=O)[O-])CC)=C4C=CC(C=C4C)=[N+](CC5=CC=CC(=C5)S(=O)(=O)[O-])CC


cas: 93918-00-4
formula: C18H23Cl2N6O2.1/2O4S
inchikey: IMAAPUMTKWYKHZ-UHFFFAOYSA-L
norman_susdat_id: NS00091252
name:
1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-1,1-dimethylhydrazinium sulphate (2:1)

inchi:
InChI=1/2C18H23Cl2N6O2.H2O4S/c2*1-4-24(9-10-26(2,3)21)14-7-5-13(6-8-14)22-23-18-16(19)11-15(25(27)28)12-17(18)20;1-5(2,3)4/h2*5-8,11-12H,4,9-10,21H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O.[O-]S([O-])(=O)=O.C[N+](C)(N)CCN(CC)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O


cas: 93918-02-6
formula: C17H15N5O7S
inchikey: UIJUXOCLYPFXDN-UHFFFAOYSA-N
norman_susdat_id: NS00091766
smiles: [O-][N+](=O)c3cc(C)cc(N=NC2C(\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)c3O
name:
p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C17H15N5O7S/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29/h3-8,15,23H,1-2H3,(H,27,28,29)


cas: 93918-04-8
formula: C30H24N4O8S2
inchikey: JOUZKHBWNZQVFW-UHFFFAOYSA-L
norman_susdat_id: NS00062684
pubchem_cid: NA
name:
Disodium 4-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo]-2,2'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C30H24N4O8S2.2Na/c1-17-13-21(32-31-20-3-7-23(35)8-4-20)5-10-25(17)26-11-6-22(14-18(26)2)33-34-29-28(44(40,41)42)16-19-15-24(43(37,38)39)9-12-27(19)30(29)36;;/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C4=CC=C(N=NC5=CC=C(O)C=C5)C=C4C)C(=C3)C)C2O)S(=O)(=O)[O-]


cas: 93918-07-1
formula: C38H27N9O10S
inchikey: SCHLIKASAZGTRB-UHFFFAOYSA-L
norman_susdat_id: NS00062471
pubchem_cid: NA
name:
Disodium 5-[[4-[[[4-[[dihydroxy[[2-hydroxy-5-[(3-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate

inchi:
InChI=1/C38H27N9O10S.2Na/c48-33-16-12-26(19-29(33)38(53)54)43-40-23-6-4-21(5-7-23)37(52)39-22-8-10-24(11-9-22)41-45-30-14-15-31(36(51)35(30)50)46-47-32-20-27(13-17-34(32)49)44-42-25-2-1-3-28(18-25)58(55,56)57;;/h1-20,48-51H,(H,39,52)(H,53,54)(H,55,56,57);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(N=NC4=CC=C(N=NC5=CC(N=NC6=CC=CC(=C6)S(=O)(=O)[O-])=CC=C5O)C(O)=C4O)C=C3)=CC=C1O


name: Lithium 1-[2-(diethylamino)ethyl] 2-dodecenylsuccinate
cas: 93918-09-3
formula: C22H41NO4
inchikey: ALFDZZGINSAFGA-UHFFFAOYSA-M
norman_susdat_id: NS00062472
pubchem_cid: NA
smiles: [Li+].O=C([O-])CC(C(=O)OCCN(CC)CC)CC=CCCCCCCCCC
inchi:
InChI=1/C22H41NO4.Li/c1-4-7-8-9-10-11-12-13-14-15-16-20(19-21(24)25)22(26)27-18-17-23(5-2)6-3;/h14-15,20H,4-13,16-19H2,1-3H3,(H,24,25);/q;+1/p-1


name: D-glucitol trilaurate
cas: 93918-32-2
dtxsid: DTXSID30917172
formula: C42H80O9
inchikey: IEQRBSIMNUWJSO-JXWCMEKSSA-N
norman_susdat_id: NS00063714
pubchem_cid: 44150585
smiles: O=C(OCC(OC(=O)CCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)C(O)C(O)CO)CCCCCCCCCCC
inchi:
InChI=1/C42H80O9/c1-4-7-10-13-16-19-22-25-28-31-38(45)49-35-37(50-39(46)32-29-26-23-20-17-14-11-8-5-2)42(41(48)36(44)34-43)51-40(47)33-30-27-24-21-18-15-12-9-6-3/h36-37,41-44,48H,4-35H2,1-3H3


name: Ethylene bis[[(8-butyl-5,11-dioxo-1,4-dioxa-7,9-dithia-8-stannacycloundec-8-yl)thio]acetate]
cas: 93918-33-3
formula: C26H42O12S6Sn2
inchikey: VXYCIFDXMXWUIM-UHFFFAOYSA-H
norman_susdat_id: NS00062546
pubchem_cid: 44153963
smiles: O=C1OCCOC(=O)CS[Sn](SC1)(SCC(=O)OCCOC(=O)CS[Sn]2(SCC(=O)OCCOC(=O)CS2)CCCC)CCCC
inchi:
InChI=1/3C6H10O4S2.2C4H9.2Sn/c3*7-5(3-11)9-1-2-10-6(8)4-12;2*1-3-4-2;;/h3*11-12H,1-4H2;2*1,3-4H2,2H3;;/q;;;;;2*+3/p-6/rC26H42O12S6Sn2/c1-3-5-13-45(39-15-21(27)33-7-8-34-22(28)16-40-45)43-19-25(31)37-11-12-38-26(32)20-44-46(14-6-4-2)41-17-23(29)35-9-10-36-24(30)18-42-46/h3-20H2,1-2H3


name: Ethylene bis[[(8-octyl-5,11-dioxo-1,4-dioxa-7,9-dithia-8-stannacycloundec-8-yl)thio]acetate]
cas: 93918-35-5
formula: C34H58O12S6Sn2
inchikey: OPHMNYUIPXZCPU-UHFFFAOYSA-H
norman_susdat_id: NS00063715
pubchem_cid: 44153886
smiles: O=C1OCCOC(=O)CS[Sn](SC1)(SCC(=O)OCCOC(=O)CS[Sn]2(SCC(=O)OCCOC(=O)CS2)CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.3C6H10O4S2.2Sn/c2*1-3-5-7-8-6-4-2;3*7-5(3-11)9-1-2-10-6(8)4-12;;/h2*1,3-8H2,2H3;3*11-12H,1-4H2;;/q;;;;;2*+3/p-6/rC34H58O12S6Sn2/c1-3-5-7-9-11-13-21-53(47-23-29(35)41-15-16-42-30(36)24-48-53)51-27-33(39)45-19-20-46-34(40)28-52-54(22-14-12-10-8-6-4-2)49-25-31(37)43-17-18-44-32(38)26-50-54/h3-28H2,1-2H3


name: N,N'-[fluoranthene-3,8-diylbis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)
cas: 93918-41-3
dtxsid: DTXSID00917169
formula: C58H34N4O6
inchikey: XOIJSJYZLUNZQV-UHFFFAOYSA-N
norman_susdat_id: NS00062239
pubchem_cid: NA
inchi:
InChI=1/C58H34N4O6/c63-53-37-16-7-9-18-39(37)55(65)51-46(61-57(67)31-12-3-1-4-13-31)28-26-44(49(51)53)59-33-22-23-34-36-24-25-43(41-21-11-20-35(48(36)41)42(34)30-33)60-45-27-29-47(62-58(68)32-14-5-2-6-15-32)52-50(45)54(64)38-17-8-10-19-40(38)56(52)66/h1-30,59-60H,(H,61,67)(H,62,68)

smiles:
O=C(NC1=CC=C(NC2=CC=C3C4=CC=C(NC5=CC=C(NC(=O)C=6C=CC=CC6)C=7C(=O)C=8C=CC=CC8C(=O)C57)C=9C=CC=C(C3=C2)C94)C=%10C(=O)C=%11C=CC=CC%11C(=O)C1%10)C=%12C=CC=CC%12


name: 1,1'-trithiobis[N,N-dibutylformamide]
cas: 93918-42-4
dtxsid: DTXSID40917168
formula: C18H36N2O2S3
inchikey: IOCUGBUQUHMNNY-UHFFFAOYSA-N
norman_susdat_id: NS00062547
pubchem_cid: 44146052
smiles: O=C(SSSC(=O)N(CCCC)CCCC)N(CCCC)CCCC
inchi:
InChI=1/C18H36N2O2S3/c1-5-9-13-19(14-10-6-2)17(21)23-25-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3


name: Dinonylammonium dinonyldithiocarbamate
cas: 93918-45-7
dtxsid: DTXSID20917166
formula: C19H39NS2
inchikey: AKOKVYJNVWTVIX-UHFFFAOYSA-N
norman_susdat_id: NS00063716
pubchem_cid: 84289
smiles: S=C([S-])N(CCCCCCCCC)CCCCCCCCC.CCCCCCCCC[NH2+]CCCCCCCCC
inchi:
InChI=1/C19H39NS2.C18H39N/c1-3-5-7-9-11-13-15-17-20(19(21)22)18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,21,22);19H,3-18H2,1-2H3


name: N,N'-(iminodiethylene)bismyristamide
cas: 93918-46-8
dtxsid: DTXSID60917165
formula: C32H65N3O2
inchikey: NQOXAPDVEVCWLR-UHFFFAOYSA-N
norman_susdat_id: NS00062240
pubchem_cid: 13828817
smiles: O=C(NCCNCCNC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C32H65N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-31(36)34-29-27-33-28-30-35-32(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-30H2,1-2H3,(H,34,36)(H,35,37)


name: N,N'-(iminodiethane-1,2-diyl)bis(octadeca-9,12-dien-1-amide)
cas: 93918-47-9
formula: C40H73N3O2
inchikey: IGJRJHXMSKJRMQ-UHFFFAOYSA-N
norman_susdat_id: NS00062717
pubchem_cid: 57356250
smiles: O=C(NCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C40H73N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,41H,3-10,15-16,21-38H2,1-2H3,(H,42,44)(H,43,45)


name: N,N'-[ethylenebis(iminoethylene)]bis(dodecanamide)
cas: 93918-49-1
dtxsid: DTXSID00917164
formula: C30H62N4O2
inchikey: TVBANASQCOWJTC-UHFFFAOYSA-N
norman_susdat_id: NS00062241
pubchem_cid: 44147678
smiles: O=C(NCCNCCNCCNC(=O)CCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C30H62N4O2/c1-3-5-7-9-11-13-15-17-19-21-29(35)33-27-25-31-23-24-32-26-28-34-30(36)22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-28H2,1-2H3,(H,33,35)(H,34,36)


name: N,N'-[ethylenebis(iminoethylene)]bismyristamide
cas: 93918-50-4
dtxsid: DTXSID40917163
formula: C34H70N4O2
inchikey: CJGHEDCNEYQSAL-UHFFFAOYSA-N
norman_susdat_id: NS00062548
pubchem_cid: 44153507
smiles: O=C(NCCNCCNCCNC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C34H70N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(39)37-31-29-35-27-28-36-30-32-38-34(40)26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-32H2,1-2H3,(H,37,39)(H,38,40)


name: N,N'-[ethane-1,2-diylbis(iminoethane-1,2-diyl)]bis(octadeca-9,12-dien-1-amide)
cas: 93918-51-5
formula: C42H78N4O2
inchikey: DBTILCAHOHXIHS-UHFFFAOYSA-N
norman_susdat_id: NS00062718
pubchem_cid: 57356252
smiles: O=C(NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C42H78N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43-44H,3-10,15-16,21-40H2,1-2H3,(H,45,47)(H,46,48)


name: N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis(9,12,15-octadecatrienamide)
cas: 93918-52-6
formula: C42H74N4O2
inchikey: UAWJDQLAODOCSH-UHFFFAOYSA-N
norman_susdat_id: NS00062242
pubchem_cid: 57356253
smiles: O=C(NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C42H74N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,43-44H,3-4,9-10,15-16,21-40H2,1-2H3,(H,45,47)(H,46,48)


name: N,N'-[iminobis(2,1-ethanediylimino-2,1-ethanediyl)]bis(9-octadecenamide)
cas: 93918-53-7
formula: C44H87N5O2
inchikey: KYVMYYMBMFHFLN-UHFFFAOYSA-N
norman_susdat_id: NS00091034
smiles: CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C44H87N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45-47H,3-16,21-42H2,1-2H3,(H,48,50)(H,49,51)


name: N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis(9-octadecenamide)
cas: 93918-54-8
formula: C42H82N4O2
inchikey: SEACOSILDQEZMB-UHFFFAOYSA-N
norman_susdat_id: NS00062549
pubchem_cid: 57356254
smiles: O=C(NCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C42H82N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44H,3-16,21-40H2,1-2H3,(H,45,47)(H,46,48)


name: N,N'-[iminobis(2,1-ethanediylimino-2,1-ethanediyl)]bis(9,12,15-octadecatrienamide)
cas: 93918-55-9
dtxsid: DTXSID80917162
formula: C44H79N5O2
inchikey: XBKVBMWZSPLVCK-UHFFFAOYSA-N
norman_susdat_id: NS00062243
pubchem_cid: NA
smiles: O=C(NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C44H79N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,45-47H,3-4,9-10,15-16,21-42H2,1-2H3,(H,48,50)(H,49,51)


name: N,N'-[iminobis(ethane-1,2-diyliminoethane-1,2-diyl)]bis(octadeca-9,12-dien-1-amide)
cas: 93918-56-0
formula: C44H83N5O2
inchikey: VKQJCYCXUGUKQJ-UHFFFAOYSA-N
norman_susdat_id: NS00062550
pubchem_cid: 57356255
smiles: O=C(NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C44H83N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45-47H,3-10,15-16,21-42H2,1-2H3,(H,48,50)(H,49,51)


name: N,N'-(iminodiethylene)bis(dodecanamide) monoacetate
cas: 93918-57-1
formula: C28H57N3O2.C2H4O2
inchikey: HFKSSAATGSUDJT-UHFFFAOYSA-N
norman_susdat_id: NS00091268
smiles: CCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C28H57N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-27(32)30-25-23-29-24-26-31-28(33)22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h29H,3-26H2,1-2H3,(H,30,32)(H,31,33);1H3,(H,3,4)


name: N,N'-(iminoethylene)bismyristamide monoacetate
cas: 93918-58-2
dtxsid: DTXSID60917160
formula: C30H59N3O2
inchikey: YKQPDQIZBGJPBC-UHFFFAOYSA-N
norman_susdat_id: NS00062244
pubchem_cid: NA
smiles: O=C(O)C.O=C(NC(=N)CNC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C30H59N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(34)32-27-28(31)33-30(35)26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-27H2,1-2H3,(H,32,34)(H2,31,33,35);1H3,(H,3,4)


name: N,N'-(iminodiethylene)bispalmitamide monoacetate
cas: 93918-59-3
formula: C36H73N3O2.C2H4O2
inchikey: LEIGTYZUOSZGDI-UHFFFAOYSA-N
norman_susdat_id: NS00091783
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C36H73N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)38-33-31-37-32-34-39-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h37H,3-34H2,1-2H3,(H,38,40)(H,39,41);1H3,(H,3,4)


name: N,N'-(iminodiethylene)bis(octadec-9-enamide) monoacetate
cas: 93918-61-7
formula: C40H77N3O2.C2H4O2
inchikey: GIIYCLVXZVSOBO-UHFFFAOYSA-N
norman_susdat_id: NS00091184
smiles: O=C(NCCNCCNC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.CC(O)=O
inchi:
InChI=1/C40H77N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h17-20,41H,3-16,21-38H2,1-2H3,(H,42,44)(H,43,45);1H3,(H,3,4)


name: N,N'-(iminodiethylene)bis(octadeca-9,12-dienamide) monoacetate
cas: 93918-62-8
formula: C40H73N3O2.C2H4O2
inchikey: LLDOUZQKVYIYBF-UHFFFAOYSA-N
norman_susdat_id: NS00091286
smiles: O=C(NCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC.CC(O)=O
inchi:
InChI=1/C40H73N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h11-14,17-20,41H,3-10,15-16,21-38H2,1-2H3,(H,42,44)(H,43,45);1H3,(H,3,4)


name: N,N'-(iminodiethylene)bis(octadeca-9,12,15-trienamide) monoacetate
cas: 93918-63-9
formula: C40H69N3O2
inchikey: SHGVHLXFWSSXDC-UHFFFAOYSA-N
norman_susdat_id: NS00062245
pubchem_cid: 57356258
smiles: O=C(O)C.O=C(NCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C40H69N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h5-8,11-14,17-20,41H,3-4,9-10,15-16,21-38H2,1-2H3,(H,42,44)(H,43,45);1H3,(H,3,4)


name: N,N'-[ethylenebis(iminoethylene)]bis(dodecanamide) monoacetate
cas: 93918-64-0
formula: C30H62N4O2.C2H4O2
inchikey: NGPFCMGUMPMAGM-UHFFFAOYSA-N
norman_susdat_id: NS00091185
smiles: CCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C30H62N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-29(35)33-27-25-31-23-24-32-26-28-34-30(36)22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h31-32H,3-28H2,1-2H3,(H,33,35)(H,34,36);1H3,(H,3,4)


name: N,N'-[ethylenebis(iminoethylene)]bismyristamide monoacetate
cas: 93918-65-1
formula: C34H70N4O2.C2H4O2
inchikey: BJWVVAADNRYORN-UHFFFAOYSA-N
norman_susdat_id: NS00091186
smiles: CCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C34H70N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(39)37-31-29-35-27-28-36-30-32-38-34(40)26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h35-36H,3-32H2,1-2H3,(H,37,39)(H,38,40);1H3,(H,3,4)


name: N,N'-[ethylenebis(iminoethylene)]bispalmitamide monoacetate
cas: 93918-66-2
formula: C38H78N4O2.C2H4O2
inchikey: WKXKBWZHSWSQLU-UHFFFAOYSA-N
norman_susdat_id: NS00091287
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C38H78N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(43)41-35-33-39-31-32-40-34-36-42-38(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h39-40H,3-36H2,1-2H3,(H,41,43)(H,42,44);1H3,(H,3,4)


name: Diammonium dysprosium pentanitrate
cas: 93918-70-8
formula: Dy.2H3N.5HNO3
inchi: InChI=1/Dy.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2
inchikey: IMNYJJZSMHEUBQ-UHFFFAOYSA-P
norman_susdat_id: NS00091785
smiles:
[NH4+].[NH4+].[Dy+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Diammonium erbium pentanitrate
cas: 93918-72-0
formula: Er.2H3N.5HNO3
inchi: InChI=1/Er.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2
inchikey: JRUWSNIXLPCQJU-UHFFFAOYSA-P
norman_susdat_id: NS00091035
smiles:
[NH4+].[NH4+].[Er+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Dierbium trimagnesium dodecanitrate
cas: 93918-73-1
formula: Er.6HNO3.3/2Mg
inchi: InChI=1/2Er.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1
inchikey: DNGVCKNQCBZEET-UHFFFAOYSA-N
norman_susdat_id: NS00091036
smiles:
[Mg+2].[Mg+2].[Mg+2].[Er+3].[Er+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Diammonium holmium pentanitrate
cas: 93918-74-2
formula: H3N.5/2HNO3.1/2Ho
inchi: InChI=1/Ho.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2
inchikey: VSDKKOIBVZJWJM-UHFFFAOYSA-P
norman_susdat_id: NS00091037
smiles:
[NH4+].[NH4+].[Ho+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Diammonium lutetium pentanitrate
cas: 93918-75-3
formula: H3N.5/2HNO3.1/2Lu
inchi: InChI=1/Lu.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2
inchikey: SJJZWUQHAFATKR-UHFFFAOYSA-P
norman_susdat_id: NS00091050
smiles:
[NH4+].[NH4+].[Lu+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Diammonium europium pentanitrate
cas: 93918-78-6
formula: Eu.2H3N.5HNO3
inchi: InChI=1/Eu.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+2;5*-1;;/p+2
inchikey: RNLZDNNWJPXWFV-UHFFFAOYSA-P
norman_susdat_id: NS00092531
smiles:
[NH4+].[NH4+].[Eu+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


cas: 93918-81-1
dtxsid: DTXSID80917147
formula: C29H57O4S
inchikey: TYMDNIOTOCKBIV-UHFFFAOYSA-N
norman_susdat_id: NS00063962
pubchem_cid: 44153502
smiles: O=C(OCC(CC)CCCC)C[S+](CC)CCC(=O)OCCCCCCCCCCCCCC.F[B-](F)(F)F
name:
Ethyl[2-[(2-ethylhexyl)oxy]-2-oxoethyl][3-oxo-3-(tetradecyloxy)propyl]sulphonium tetrafluoroborate(1-)

inchi:
InChI=1/C29H57O4S.BF4/c1-5-9-11-12-13-14-15-16-17-18-19-20-23-32-28(30)22-24-34(8-4)26-29(31)33-25-27(7-3)21-10-6-2;2-1(3,4)5/h27H,5-26H2,1-4H3;/q+1;-1


name: Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate
cas: 93918-82-2
dtxsid: DTXSID20917146
formula: C27H52O4S
inchikey: IAELOIIBNWOIBD-UHFFFAOYSA-N
norman_susdat_id: NS00063836
pubchem_cid: 3022899
smiles: O=C(OCC(CC)CCCC)CSCCC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/C27H52O4S/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-30-26(28)20-22-32-24-27(29)31-23-25(6-3)19-8-5-2/h25H,4-24H2,1-3H3


name: Dodecylethyl[3-[(2-ethylhexyl)oxy]-3-oxopropyl]sulphonium toluene-p-sulphonate
cas: 93918-84-4
formula: C25H51O2S.C7H7O3S
inchikey: DWSPXTWLUQOANI-UHFFFAOYSA-M
norman_susdat_id: NS00091854
smiles: CCCCCCCCCCCC[S+](CC)CCC(=O)OCC(CC)CCCC.Cc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C25H51O2S.C7H8O3S/c1-5-9-11-12-13-14-15-16-17-18-21-28(8-4)22-20-25(26)27-23-24(7-3)19-10-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h24H,5-23H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 1,1'-[(3,5-dimethylphenyl)imino]bis(butan-2-ol)
cas: 93918-86-6
formula: C16H27NO2
inchikey: MNHPEUKMVUMQQH-UHFFFAOYSA-N
norman_susdat_id: NS00063859
pubchem_cid: 44149315
smiles: OC(CN(C=1C=C(C=C(C1)C)C)CC(O)CC)CC
inchi:
InChI=1/C16H27NO2/c1-5-15(18)10-17(11-16(19)6-2)14-8-12(3)7-13(4)9-14/h7-9,15-16,18-19H,5-6,10-11H2,1-4H3


name: Tributoxyethoxytitanium
cas: 93918-89-9
formula: C14H32O4Ti
inchikey: DLOURAQMINZMDY-UHFFFAOYSA-N
norman_susdat_id: NS00091855
smiles: CCCCO[Ti](OCC)(OCCCC)OCCCC
inchi:
InChI=1/3C4H9O.C2H5O.Ti/c3*1-2-3-4-5;1-2-3;/h3*2-4H2,1H3;2H2,1H3;/q4*-1;+4/rC14H32O4Ti/c1-5-9-12-16-19(15-8-4,17-13-10-6-2)18-14-11-7-3/h5-14H2,1-4H3


name: Butyl ethyl titanate
cas: 93918-90-2
formula: C12H28O4Ti
inchikey: YDINAJIFYFHADV-UHFFFAOYSA-N
norman_susdat_id: NS00092532
smiles: CCCCO[Ti]([O-])([O-])OCC
inchi:
InChI=1/C4H9O.C2H5O.2O.Ti/c1-2-3-4-5;1-2-3;;;/h2-4H2,1H3;2H2,1H3;;;/q4*-1;+2/rC6H14O4Ti/c1-3-5-6-10-11(7,8)9-4-2/h3-6H2,1-2H3/q-2


name: Butoxytriethoxytitanium
cas: 93918-91-3
formula: C10H24O4Ti
inchikey: WQKUIRLFSNRWTK-UHFFFAOYSA-N
norman_susdat_id: NS00092091
smiles: CCCCO[Ti](OCC)(OCC)OCC
inchi:
InChI=1/C4H9O.3C2H5O.Ti/c1-2-3-4-5;3*1-2-3;/h2-4H2,1H3;3*2H2,1H3;/q4*-1;+4/rC10H24O4Ti/c1-5-9-10-14-15(11-6-2,12-7-3)13-8-4/h5-10H2,1-4H3


name: N-benzylpyrrolidine-1-undecanamide
cas: 93918-92-4
dtxsid: DTXSID80917142
formula: C22H36N2O
inchikey: LYAWISOLMKNQKO-UHFFFAOYSA-N
norman_susdat_id: NS00064348
pubchem_cid: 44149387
smiles: O=C(NCC=1C=CC=CC1)CCCCCCCCCCN2CCCC2
inchi:
InChI=1/C22H36N2O/c25-22(23-20-21-14-8-7-9-15-21)16-10-5-3-1-2-4-6-11-17-24-18-12-13-19-24/h7-9,14-15H,1-6,10-13,16-20H2,(H,23,25)


name: 2-ethylhexyl 3-(dodecylthio)propionate
cas: 93918-94-6
dtxsid: DTXSID20917141
formula: C23H46O2S
inchikey: IHZZQTXEGJYUKL-UHFFFAOYSA-N
norman_susdat_id: NS00065198
pubchem_cid: 3022908
smiles: O=C(OCC(CC)CCCC)CCSCCCCCCCCCCCC
inchi:
InChI=1/C23H46O2S/c1-4-7-9-10-11-12-13-14-15-16-19-26-20-18-23(24)25-21-22(6-3)17-8-5-2/h22H,4-21H2,1-3H3


name: Sodium 5,10-dihydro-5,10-dioxo-1H-anthra[2,3-d]triazolesulphonate
cas: 93918-96-8
dtxsid: DTXSID60917140
formula: C14H7N3O5S
inchikey: YTCHWUWXEISURO-UHFFFAOYSA-M
norman_susdat_id: NS00063963
pubchem_cid: 57356261
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C1=CC=4N=NNC4C3S(=O)(=O)[O-]
inchi:
InChI=1/C14H7N3O5S.Na/c18-12-6-3-1-2-4-7(6)13(19)10-8(12)5-9-11(16-17-15-9)14(10)23(20,21)22;/h1-5H,(H,15,16,17)(H,20,21,22);/q;+1/p-1


name: Galactaric acid, compound with 1,5-dimethyl-N-(3-methylbutyl)hexylamine (1:2)
cas: 93918-97-9
formula: C13H29N.1/2C6H10O8
inchikey: UJGUOLMDGMDNGF-IBGZLQDMSA-N
norman_susdat_id: NS00091856
smiles: CC(C)CCCC(C)NCCC(C)C.CC(C)CCCC(C)NCCC(C)C.O[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@@H](O)C(=O)O
inchi:
InChI=1/2C13H29N.C6H10O8/c2*1-11(2)7-6-8-13(5)14-10-9-12(3)4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*11-14H,6-10H2,1-5H3;1-4,7-10H,(H,11,12)(H,13,14)


name: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 2-(methylamino)ethanol (1:1)
cas: 93918-99-1
formula: C7H8N4O2.C3H9NO
inchikey: JTFDFDAADGJSMU-UHFFFAOYSA-N
norman_susdat_id: NS00092100
smiles: CNCCO.CN1C(=O)N(C)c2[nH]cnc2C1=O
inchi:
InChI=1/C7H8N4O2.C3H9NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4-2-3-5/h3H,1-2H3,(H,8,9);4-5H,2-3H2,1H3


name: 2-isopropyl-5-methylcyclohexyl stearate
cas: 93919-01-8
formula: C28H54O2
inchikey: UFFYOHVNDSTCTL-UHFFFAOYSA-N
norman_susdat_id: NS00063964
pubchem_cid: 16205867
smiles: O=C(OC1CC(C)CCC1C(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-27-23-25(4)21-22-26(27)24(2)3/h24-27H,5-23H2,1-4H3


name: Hexadecyl 16-methylheptadecanoate
cas: 93919-02-9
dtxsid: DTXSID30917137
formula: C34H68O2
inchikey: FBQVFXLUGAFMIO-UHFFFAOYSA-N
norman_susdat_id: NS00063965
pubchem_cid: 216234
smiles: O=C(OCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1/C34H68O2/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32-36-34(35)31-28-25-22-19-16-13-12-15-18-21-24-27-30-33(2)3/h33H,4-32H2,1-3H3


cas: 93919-05-2
formula: C36H63N9O9
inchikey: VTPYIPYVTKFSGP-UHFFFAOYSA-N
norman_susdat_id: NS00063861
pubchem_cid: 53421642
smiles: O=C(ON=C(C)CC)NCCCCCCN1C(=O)N(C(=O)N(C1=O)CCCCCCNC(=O)ON=C(C)CC)CCCCCCNC(=O)ON=C(C)CC
name:
1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

inchi:
InChI=1/C36H63N9O9/c1-7-28(4)40-52-31(46)37-22-16-10-13-19-25-43-34(49)44(26-20-14-11-17-23-38-32(47)53-41-29(5)8-2)36(51)45(35(43)50)27-21-15-12-18-24-39-33(48)54-42-30(6)9-3/h7-27H2,1-6H3,(H,37,46)(H,38,47)(H,39,48)


cas: 93919-07-4
formula: C45H72N6O18
inchikey: BURISEUGTRDFKM-UHFFFAOYSA-N
norman_susdat_id: NS00064349
pubchem_cid: 102055982
name:
Hexaethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6,1-hexanediyliminocarbonyl)]trismalonate

inchi:
InChI=1/C45H72N6O18/c1-7-64-37(55)31(38(56)65-8-2)34(52)46-25-19-13-16-22-28-49-43(61)50(29-23-17-14-20-26-47-35(53)32(39(57)66-9-3)40(58)67-10-4)45(63)51(44(49)62)30-24-18-15-21-27-48-36(54)33(41(59)68-11-5)42(60)69-12-6/h31-33H,7-30H2,1-6H3,(H,46,52)(H,47,53)(H,48,54)

smiles:
O=C(OCC)C(C(=O)OCC)C(=O)NCCCCCCN1C(=O)N(C(=O)N(C1=O)CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC


cas: 93919-08-5
dtxsid: DTXSID70917136
formula: C24H38N2O8
inchikey: BFMKOQRYRSHQGV-UHFFFAOYSA-N
norman_susdat_id: NS00064350
pubchem_cid: 3022913
smiles: O=C(OCC)C(C(=O)NCC1(C)CC(NC(=O)C(C(=O)OCC)C(=O)C)CC(C)(C)C1)C(=O)C
name:
Ethyl 2-[[[3-[[[2-(ethoxycarbonyl)-1,3-dioxobutyl]amino]methyl]-3,5,5-trimethylcyclohexyl]amino]carbonyl]-3-oxobutyrate

inchi:
InChI=1/C24H38N2O8/c1-8-33-21(31)17(14(3)27)19(29)25-13-24(7)11-16(10-23(5,6)12-24)26-20(30)18(15(4)28)22(32)34-9-2/h16-18H,8-13H2,1-7H3,(H,25,29)(H,26,30)


name: 4,4'-(2-Methylpropylidene)bis(2,6-xylenol)
cas: 93919-14-3
dtxsid: DTXSID80897415
formula: C20H26O2
inchikey: ODVXUYPWFWVHGW-UHFFFAOYSA-N
norman_susdat_id: NS00093678
smiles: CC(C)C(C1=CC(C)=C(O)C(C)=C1)C1=CC(C)=C(O)C(C)=C1
inchi:
InChI=1S/C20H26O2/c1-11(2)18(16-7-12(3)19(21)13(4)8-16)17-9-14(5)20(22)15(6)10-17/h7-11,18,21-22H,1-6H3


cas: 93919-15-4
formula: C27H33N4O4.HO
inchikey: VDOJOKVKMJCHEB-UHFFFAOYSA-N
norman_susdat_id: NS00092101
smiles: [OH-].[OH-].O=C3[NH2+]C(\O)=C(\N=Nc1ccccc1C(=O)OCCCCCCCCC)C(\C)=C3\[n+]2ccccc2
name:
1',2'-dihydro-6'-hydroxy-4'-methyl-5'-[[2-[(nonyloxy)carbonyl]phenyl]azo]-2'-oxo-1,3'-bipyridinium hydroxide

inchi:
InChI=1/C27H32N4O4.2H2O/c1-3-4-5-6-7-8-14-19-35-27(34)21-15-10-11-16-22(21)29-30-23-20(2)24(26(33)28-25(23)32)31-17-12-9-13-18-31;;/h9-13,15-18H,3-8,14,19H2,1-2H3,(H-,28,29,32,33,34);2*1H2


name: 1-[2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]pyridinium hydroxide
cas: 93919-16-5
formula: C19H17ClN5O2.HO
inchikey: XSZIBTFYINILHQ-UHFFFAOYSA-M
norman_susdat_id: NS00091912
smiles: [OH-].[O-][N+](=O)c1ccc(cc1)N=Nc3ccc(NCC[n+]2ccccc2)c(Cl)c3
inchi:
InChI=1/C19H17ClN5O2.H2O/c20-18-14-16(23-22-15-4-7-17(8-5-15)25(26)27)6-9-19(18)21-10-13-24-11-2-1-3-12-24;/h1-9,11-12,14,21H,10,13H2;1H2/q+1;/p-1


cas: 93919-17-6
formula: C30H20ClN7O15S4
inchikey: YFCSSQMJLMOMKW-UHFFFAOYSA-N
norman_susdat_id: NS00092533
name:
2-[[4-chloro-6-[[8-hydroxy-3,6-disulpho-7-[(1-sulpho-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid

inchi:
InChI=1/C30H20ClN7O15S4/c31-28-34-29(32-19-8-6-15(54(42,43)44)11-18(19)27(40)41)36-30(35-28)33-21-12-16(55(45,46)47)9-14-10-22(56(48,49)50)24(25(39)23(14)21)38-37-20-7-5-13-3-1-2-4-17(13)26(20)57(51,52)53/h1-12,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,32,33,34,35,36)

smiles:
Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(Nc5ccc(cc5C(O)=O)S(O)(=O)=O)n6


name: 4-amino-6-[(1,2-dihydro-2-imino-1,6-dimethyl-4-pyrimidinyl)amino]-1,2-dimethylquinolinium hydroxide
cas: 93919-18-7
formula: C17H21N6.HO
inchikey: MQKRJIRENZXLLW-UHFFFAOYSA-N
norman_susdat_id: NS00092534
smiles: [OH-].CN1C(=CC(=NC1=N)Nc2ccc3c(c2)c(N)cc(C)[n+]3C)C
inchi:
InChI=1/C17H20N6.H2O/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16;/h5-9,18H,1-4H3,(H2,19,20,21);1H2


name: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium hydroxide
cas: 93919-19-8
formula: C19H23N4O2S.HO
inchikey: PJNMVGPWPGXMQO-UHFFFAOYSA-M
norman_susdat_id: NS00091913
smiles: [OH-].CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C19H23N4O2S.H2O/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;/h5-10,13,24H,4,11-12H2,1-3H3;1H2/q+1;/p-1


name: 1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydroxide
cas: 93919-20-1
formula: C21H20Cl2N5O2.HO
inchikey: ADZOLKADRMQPCT-UHFFFAOYSA-M
norman_susdat_id: NS00092131
smiles: [OH-].[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C21H20Cl2N5O2.H2O/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;/h3-11,14-15H,2,12-13H2,1H3;1H2/q+1;/p-1


cas: 93919-21-2
formula: C37H30N6O16S3
inchikey: MWYLDWDALWYHNN-UHFFFAOYSA-N
norman_susdat_id: NS00092554
name:
3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulpho-1-naphthyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulpho-2-naphthyl]azo]-p-anisic acid

inchi:
InChI=1/C37H30N6O16S3/c1-17-8-26(31(59-3)16-25(17)40-42-28-14-22(60(49,50)51)10-20-11-23(61(52,53)54)15-29(44)33(20)28)39-37(48)38-21-5-6-24-19(9-21)13-32(62(55,56)57)34(35(24)45)43-41-27-12-18(36(46)47)4-7-30(27)58-2/h4-16,44-45H,1-3H3,(H,46,47)(H2,38,39,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)

smiles:
COc6ccc(cc6N=Nc5c(cc4cc(NC(=O)Nc3cc(C)c(N=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O)cc3OC)ccc4c5O)S(O)(=O)=O)C(O)=O


name: Potassium hydrogen 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulphonate
cas: 93919-24-5
formula: C14H6N2O14S2.K
inchikey: UMPYOFXAGNQYMY-UHFFFAOYSA-L
norman_susdat_id: NS00092046
smiles: [K+].Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C14H6N2O14S2.K/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)8-4(16(23)24)2-6(32(28,29)30)12(18)10(8)13(7)19;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);/q;+1/p-2


name: Sodium 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]azo]salicylate
cas: 93919-25-6
formula: C21H18N4O4
inchikey: PAPFJSHVOZXVDQ-UHFFFAOYSA-M
norman_susdat_id: NS00064792
pubchem_cid: NA
smiles: [Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)C3=CC=C(N)C(=C3)C)=CC=C1O
inchi:
InChI=1/C21H18N4O4.Na/c1-12-10-13(2-8-18(12)22)20(27)23-14-3-5-15(6-4-14)24-25-16-7-9-19(26)17(11-16)21(28)29;/h2-11,26H,22H2,1H3,(H,23,27)(H,28,29);/q;+1/p-1


name: Sodium 4-hydroxy-3-[[2-methoxy-4-(N-methylamino)phenyl]azo]benzenesulphonate
cas: 93919-26-7
formula: C14H15N3O5S.Na
inchikey: HOFWDLYOFPGWCV-UHFFFAOYSA-M
norman_susdat_id: NS00092766
smiles: [Na+].COc2cc(ccc2N=Nc1cc(ccc1O)S([O-])(=O)=O)NC
inchi:
InChI=1/C14H15N3O5S.Na/c1-15-9-3-5-11(14(7-9)22-2)16-17-12-8-10(23(19,20)21)4-6-13(12)18;/h3-8,15,18H,1-2H3,(H,19,20,21);/q;+1/p-1


cas: 93919-33-6
formula: C34H30N4O8S2
inchikey: FAGWZRMPTWLSNE-UHFFFAOYSA-N
norman_susdat_id: NS00092112
smiles: OS(=O)(=O)c5cc(cc6ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c4ccc(N=Nc3ccc(O)cc3)cc4)c56)S(O)(=O)=O
name:
7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonic acid

inchi:
InChI=1/C34H30N4O8S2/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46/h4-17,20-21,39-40H,1-3,18-19H2,(H,41,42,43)(H,44,45,46)


cas: 93919-34-7
formula: C37H26N6O12S3
inchikey: LDKLPAISLIHHTB-UHFFFAOYSA-N
norman_susdat_id: NS00065582
pubchem_cid: 3022925
name:
4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]-2-[(7-sulpho-2-naphthyl)azo]naphthalenesulphonic acid

inchi:
InChI=1/C37H26N6O12S3/c44-32-19-31(42-41-26-8-6-20-7-11-27(56(47,48)49)16-21(20)14-26)36(58(53,54)55)30-18-25(10-13-29(30)32)39-37(46)38-24-9-12-28-22(15-24)17-33(57(50,51)52)34(35(28)45)43-40-23-4-2-1-3-5-23/h1-19,44-45H,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)

smiles:
O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3)C2O)S(=O)(=O)O)NC4=CC=C5C(O)=CC(N=NC=6C=CC7=CC=C(C=C7C6)S(=O)(=O)O)=C(C5=C4)S(=O)(=O)O


name: 2,4,5-tri-O-tetradecyl-D-glucitol
cas: 93919-37-0
dtxsid: DTXSID80917122
formula: C48H98O6
inchikey: FMWGXHAYSHONFH-AVNIMNHSSA-N
norman_susdat_id: NS00064261
pubchem_cid: 44153837
smiles: OCC(OCCCCCCCCCCCCCC)C(O)C(OCCCCCCCCCCCCCC)C(OCCCCCCCCCCCCCC)CO
inchi:
InChI=1/C48H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-52-45(43-49)47(51)48(54-42-39-36-33-30-27-24-21-18-15-12-9-6-3)46(44-50)53-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45-51H,4-44H2,1-3H3


name: 3-((2-Amino-1H-purin-6-yl)thio)propionic acid
cas: 93919-44-9
chemspiderid: 2289294
dtxsid: DTXSID40239892
formula: C8H9N5O2S1
inchikey: AGEPYGNRWZRUOT-UHFFFAOYSA-N
norman_susdat_id: NS00039761
pubchem_cid: 3022926
smiles: Nc1nc2ncnc2c([nH]1)SCCC(=O)O
inchi:
InChI=1S/C8H9N5O2S/c9-8-12-6-5(10-3-11-6)7(13-8)16-2-1-4(14)15/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13)


name: 2,3,5-triphenyl-2H-tetrazolium chloride monohydrochloride
cas: 93919-46-1
formula: C19H15N4.ClH.Cl
inchikey: BMTXEJXKIQUFCB-UHFFFAOYSA-M
norman_susdat_id: NS00092123
smiles: Cl.[Cl-].c1ccc(cc1)c2n[n+](c3ccccc3)n(n2)c4ccccc4
inchi:
InChI=1/C19H15N4.2ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;;/h1-15H;2*1H/q+1;;/p-1


cas: 93919-52-9
chemspiderid: 2289296
dtxsid: DTXSID00239893
formula: C35H48N2O5S1
inchikey: VNZJJOWHMXUFKW-UHFFFAOYSA-N
norman_susdat_id: NS00039763
pubchem_cid: 3022928
smiles: Cc1c(C)c(NS(=O)(=O)c2ccccc2)c(C)c(CC(=O)NCCCCOc2c(cc(cc2)C(C)(C)C)C(C)(C)C)c1O
name:
N-(4-(2,4-Bis(tert-butyl)phenoxy)butyl)-2-(2-hydroxy-3,4,6-trimethyl-5-((phenylsulphonyl)amino)phenyl)acetamide

inchi:
InChI=1S/C35H48N2O5S/c1-23-24(2)33(39)28(25(3)32(23)37-43(40,41)27-15-11-10-12-16-27)22-31(38)36-19-13-14-20-42-30-18-17-26(34(4,5)6)21-29(30)35(7,8)9/h10-12,15-18,21,37,39H,13-14,19-20,22H2,1-9H3,(H,36,38)


cas: 93919-53-0
dtxsid: DTXSID50917114
formula: C37H48Cl2N2O5
inchikey: JXFUTXLMVKIKSG-UHFFFAOYSA-N
norman_susdat_id: NS00064262
pubchem_cid: 3022929
smiles: O=C(NC1=CC(Cl)=C(C=C1O)NC(=O)C(OC2=CC=C(O)C(=C2)C(C)(C)C)CCCCCCCCCCCC)C3=CC=C(Cl)C=C3
name:
N-[4-[[2-[3-(tert-butyl)-4-hydroxyphenoxy]-1-oxotetradecyl]amino]-5-chloro-2-hydroxyphenyl]-4-chlorobenzamide

inchi:
InChI=1/C37H48Cl2N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-34(46-27-20-21-32(42)28(22-27)37(2,3)4)36(45)40-30-24-33(43)31(23-29(30)39)41-35(44)25-16-18-26(38)19-17-25/h16-24,34,42-43H,5-15H2,1-4H3,(H,40,45)(H,41,44)


name: Ethyl 3-(2-(2-chloro-4,6-dimethylphenyl)hydrazino)-3-iminopropionate
cas: 93919-54-1
chemspiderid: 7832075
dtxsid: DTXSID60239894
formula: C13H18Cl1N3O2
inchikey: RCSJIAGFASMAKI-UHFFFAOYSA-N
norman_susdat_id: NS00039764
pubchem_cid: NA
smiles: CCOC(=O)CC(=N)NNc1c(Cl)cc(C)cc1C
inchi:
InChI=1S/C13H18ClN3O2/c1-4-19-12(18)7-11(15)16-17-13-9(3)5-8(2)6-10(13)14/h5-6,17H,4,7H2,1-3H3,(H2,15,16)


cas: 93919-58-5
formula: C23H28N2O5.C2H6O
inchikey: VLQNHCDNTNEAMW-QMFIGXPHSA-N
norman_susdat_id: NS00092382
smiles: CCO.COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@H]3C[C@H]12
name:
Methyl (3ß,19a,20a)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate, compound with ethanol (1:1)

inchi:
InChI=1/C23H28N2O5.C2H6O/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4;1-2-3/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3;3H,2H2,1H3


name: Phosphoric acid, 2-methylpropyl ester, compd. with 2,2',2''-nitrilotris[ethanol]
cas: 93919-64-3
formula: -
inchikey: ARVPFNPNVKBKTF-UHFFFAOYSA-N
norman_susdat_id: NS00092125
smiles: CC(C)COP(=O)(O)O.OCCN(CCO)CCO
inchi:
InChI=1/C6H15NO3.C4H11O4P/c8-4-1-7(2-5-9)3-6-10;1-4(2)3-8-9(5,6)7/h8-10H,1-6H2;4H,3H2,1-2H3,(H2,5,6,7)


name: 3',6'-dihydroxy-4',5'-diiodo-2',7'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 93919-67-6
dtxsid: DTXSID20917106
formula: C22H14I2O5
inchikey: RPSDBCNTVXHSII-UHFFFAOYSA-N
norman_susdat_id: NS00064382
pubchem_cid: 25113374
smiles: O=C1OC2(C=3C=CC=CC13)C4=CC(=C(O)C(I)=C4OC5=C(I)C(O)=C(C=C52)C)C
inchi:
InChI=1/C22H14I2O5/c1-9-7-13-19(15(23)17(9)25)28-20-14(8-10(2)18(26)16(20)24)22(13)12-6-4-3-5-11(12)21(27)29-22/h3-8,25-26H,1-2H3


cas: 93919-68-7
formula: C9H28N3O15P5.9K
inchikey: NPAIWIGEQWKJSF-UHFFFAOYSA-F
norman_susdat_id: NS00092384
name:
Nonapotassium hydrogen [[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.9K/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;;;/q;9*+1/p-8

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].OP(=O)(O)CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-69-8
formula: C9H28N3O15P5.10K
inchikey: BKBVVUGZJFNFPN-UHFFFAOYSA-D
norman_susdat_id: NS00092385
name:
Decapotassium [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.10K/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;;;;/q;10*+1/p-10

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-70-1
formula: C9H28N3O15P5.5H3N
inchikey: UUQGMDZBPMYQTE-UHFFFAOYSA-I
norman_susdat_id: NS00092126
name:
Pentaammonium pentahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.5H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);5*1H3/p-5

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-71-2
formula: C9H28N3O15P5.6H3N
inchikey: OGXFLDLTYOMHDI-UHFFFAOYSA-J
norman_susdat_id: NS00092777
name:
Hexaammonium tetrahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.6H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);6*1H3/p-4

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-72-3
formula: C9H28N3O15P5.7H3N
inchikey: YTUFNKYFUBDOKK-UHFFFAOYSA-K
norman_susdat_id: NS00092778
name:
Heptaammonium trihydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.7H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);7*1H3/p-3

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-73-4
formula: C9H28N3O15P5.8H3N
inchikey: XQJVYLNYCNKXPO-UHFFFAOYSA-L
norman_susdat_id: NS00092062
name:
Octaammonium dihydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.8H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);8*1H3/p-2

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-74-5
formula: C9H28N3O15P5.9H3N
inchikey: NSLZQFATRMGUCE-UHFFFAOYSA-M
norman_susdat_id: NS00092386
name:
Nonaammonium hydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C9H28N3O15P5.9H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);9*1H3/p-1

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-75-6
formula: C12H36N4O18P6.6Na
inchikey: IZLHOACPFJBAGJ-UHFFFAOYSA-B
norman_susdat_id: NS00092127
name:
Hexasodium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.6Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;/q;6*+1/p-12

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-76-7
formula: C12H36N4O18P6.7Na
inchikey: MUNVYTQIFGXKHW-UHFFFAOYSA-B
norman_susdat_id: NS00092779
name:
Heptasodium pentahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.7Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;/q;7*+1/p-12

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-77-8
formula: C12H36N4O18P6.8Na
inchikey: RYJABAHAKMPYSP-UHFFFAOYSA-B
norman_susdat_id: NS00092780
name:
Octasodium tetrahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.8Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;/q;8*+1/p-12

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-78-9
formula: C12H36N4O18P6.11Na
inchikey: TYUAQWXQDUTDRQ-UHFFFAOYSA-B
norman_susdat_id: NS00092400
name:
Undecasodium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.11Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;;;;/q;11*+1/p-12

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-79-0
formula: C12H36N4O18P6.12Na
inchikey: NPHCVKSRPFWDEI-UHFFFAOYSA-B
norman_susdat_id: NS00092142
name:
Dodecasodium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.12Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;;;;;/q;12*+1/p-12

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-80-3
formula: C12H36N4O18P6.6K
inchikey: IYRDUIAAKZLRCM-UHFFFAOYSA-B
norman_susdat_id: NS00092147
name:
Hexapotassium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.6K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;/q;6*+1/p-12

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-81-4
formula: C12H36N4O18P6.7K
inchikey: NUTKZGMXFMRCPP-UHFFFAOYSA-B
norman_susdat_id: NS00092148
name:
Heptapotassium pentahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.7K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;/q;7*+1/p-12

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93919-82-5
formula: C12H36N4O18P6.8K
inchikey: PJVMGHDLVXDLNL-UHFFFAOYSA-B
norman_susdat_id: NS00092082
name:
Octapotassium tetrahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.8K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;/q;8*+1/p-12

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Pentasodium trihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 93919-83-6
formula: C10H28N2O12P4.5Na
inchikey: KMHXOADAZMNLBD-UHFFFAOYSA-F
norman_susdat_id: NS00092083
inchi:
InChI=1/C10H28N2O12P4.5Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;/q;5*+1/p-8

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Sodium (Z)-N-(2-hydroxyethyl)-N-[2-[(1-oxo-9-octadecenyl)amino]ethyl]glycinate
cas: 93919-85-8
formula: C24H46N2O4.Na
inchikey: IPYKAMBNXWKFTC-KVVVOXFISA-M
norman_susdat_id: NS00092084
smiles: [Na+].CCCCCCCC\C=C/CCCCCCCC(=O)NCCN(CCO)CC(=O)[O-]
inchi:
InChI=1/C24H46N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30;/h9-10,27H,2-8,11-22H2,1H3,(H,25,28)(H,29,30);/q;+1/p-1


name: (Z)-1-(carboxylatomethyl)-2-(heptadec-8-enyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium
cas: 93919-86-9
formula: C24H46N2O3
inchikey: ZDLZAZICWNEZCF-KTKRTIGZSA-N
norman_susdat_id: NS00064850
pubchem_cid: NA
smiles: O=C([O-])C[NH+]1CCN(CCO)C1CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25(20-21-27)18-19-26(23)22-24(28)29/h9-10,23,27H,2-8,11-22H2,1H3,(H,28,29)


name: Disodium (Z)-N-[2-[(carboxylatomethyl)(2-hydroxyethyl)amino]ethyl]-N-(1-oxo-9-octadecenyl)glycinate
cas: 93919-87-0
dtxsid: DTXSID10917099
formula: C26H48N2O6
inchikey: AJZKBFNJILRQRF-XXAVUKJNSA-L
norman_susdat_id: NS00064313
pubchem_cid: 56843999
smiles: [Na+].[Na+].O=C([O-])CN(C(=O)CCCCCCCC=CCCCCCCCC)CCN(CC(=O)[O-])CCO
inchi:
InChI=1/C26H48N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28(23-26(33)34)19-18-27(20-21-29)22-25(31)32;;/h9-10,29H,2-8,11-23H2,1H3,(H,31,32)(H,33,34);;/q;2*+1/p-2


name: 1,1'-[(2-phenylethylidene)bis(oxy-2,1-ethanediyl)]bisbenzene
cas: 93919-95-0
dtxsid: DTXSID50917098
formula: C24H26O2
inchikey: SCTXBFWBZBOLKS-UHFFFAOYSA-N
norman_susdat_id: NS00064423
pubchem_cid: 44150281
smiles: O(CCC=1C=CC=CC1)C(OCCC=2C=CC=CC2)CC=3C=CC=CC3
inchi:
InChI=1/C24H26O2/c1-4-10-21(11-5-1)16-18-25-24(20-23-14-8-3-9-15-23)26-19-17-22-12-6-2-7-13-22/h1-15,24H,16-20H2


name: (Z)-2,2'-(octadec-9-enylimino)bisethanol hydrochloride
cas: 93919-96-1
formula: C22H45NO2.ClH
inchikey: PYVOXDDQWISZTR-KVVVOXFISA-N
norman_susdat_id: NS00092795
smiles: Cl.CCCCCCCC\C=C/CCCCCCCCN(CCO)CCO
inchi:
InChI=1/C22H45NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;/h9-10,24-25H,2-8,11-22H2,1H3;1H


name: Formic acid, compound with N-[2-[(2-aminoethyl)amino]ethyl]stearamide (1:1)
cas: 93919-97-2
formula: C22H47N3O.CH2O2
inchikey: VHKZBVJJVKNJAY-UHFFFAOYSA-N
norman_susdat_id: NS00092404
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.OC=O
inchi:
InChI=1/C22H47N3O.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;2-1-3/h24H,2-21,23H2,1H3,(H,25,26);1H,(H,2,3)


name: 1-octadecyl hydrogen 2-sulphosuccinate, compound with 2-aminoethanol (1:2)
cas: 93919-99-4
formula: C22H42O7S.2C2H7NO
inchikey: ZLWBFOKOHOJLAI-UHFFFAOYSA-N
norman_susdat_id: NS00092085
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.NCCO.NCCO
inchi:
InChI=1/C22H42O7S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;2*3-1-2-4/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);2*4H,1-3H2


name: 1-hexadecyl hydrogen 2-sulphosuccinate, compound with 2-aminoethanol (1:2)
cas: 93920-01-5
formula: C20H38O7S.2C2H7NO
inchikey: PUJJHXFGFCMYJH-UHFFFAOYSA-N
norman_susdat_id: NS00092086
smiles: CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.NCCO.NCCO
inchi:
InChI=1/C20H38O7S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;2*3-1-2-4/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);2*4H,1-3H2


name: 1-icosyl hydrogen 2-sulphosuccinate, compound with 2-aminoethanol (1:2)
cas: 93920-03-7
formula: C24H46O7S.2C2H7NO
inchikey: FWZKYFIXWPZZNL-UHFFFAOYSA-N
norman_susdat_id: NS00092796
smiles: CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.NCCO.NCCO
inchi:
InChI=1/C24H46O7S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;2*3-1-2-4/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);2*4H,1-3H2


name: a-methyl-N,N-bis[4-(1-phenylethyl)phenyl]benzylamine
cas: 93920-04-8
dtxsid: DTXSID50917093
formula: C36H35N
inchikey: CJUSADBOQLQVKK-UHFFFAOYSA-N
norman_susdat_id: NS00064852
pubchem_cid: 44149948
smiles: C=1C=CC(=CC1)C(C2=CC=C(C=C2)N(C3=CC=C(C=C3)C(C=4C=CC=CC4)C)C(C=5C=CC=CC5)C)C
inchi:
InChI=1/C36H35N/c1-27(30-13-7-4-8-14-30)32-19-23-35(24-20-32)37(29(3)34-17-11-6-12-18-34)36-25-21-33(22-26-36)28(2)31-15-9-5-10-16-31/h4-29H,1-3H3


name: a-methyl-N-phenyl-N-[4-(1-phenylethyl)phenyl]benzylamine
cas: 93920-05-9
dtxsid: DTXSID90917092
formula: C28H27N
inchikey: WPJNQHKJZHDLKV-UHFFFAOYSA-N
norman_susdat_id: NS00064315
pubchem_cid: 44151100
smiles: C=1C=CC(=CC1)N(C2=CC=C(C=C2)C(C=3C=CC=CC3)C)C(C=4C=CC=CC4)C
inchi:
InChI=1/C28H27N/c1-22(24-12-6-3-7-13-24)25-18-20-28(21-19-25)29(27-16-10-5-11-17-27)23(2)26-14-8-4-9-15-26/h3-23H,1-2H3


name: Undecanoic acid, compound with 1,1',1''-nitrilotripropan-2-ol (1:1)
cas: 93920-19-5
formula: C11H22O2.C9H21NO3
inchikey: VYHSKKUZNRPTJN-UHFFFAOYSA-N
norman_susdat_id: NS00092797
smiles: CCCCCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O
inchi:
InChI=1/C11H22O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-10H2,1H3,(H,12,13);7-9,11-13H,4-6H2,1-3H3


name: Undecanoic acid, compound with 1,1'-iminodipropan-2-ol (1:1)
cas: 93920-20-8
formula: C11H22O2.C6H15NO2
inchikey: HPTCWSAVEQVHNC-UHFFFAOYSA-N
norman_susdat_id: NS00092408
smiles: CCCCCCCCCCC(=O)O.CC(O)CNCC(C)O
inchi:
InChI=1/C11H22O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-5(8)3-7-4-6(2)9/h2-10H2,1H3,(H,12,13);5-9H,3-4H2,1-2H3


name: Naphthalene-2,7-disulphonic acid, calcium sodium salt
cas: 93920-36-6
formula: C10H8O6S2.xCa.xNa
inchikey: IZNJFQKZKIBBJR-UHFFFAOYSA-L
norman_susdat_id: NS00092190
smiles: [Na+].[Ca+2].[O-]S(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.Ca.Na/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;+2;+1/p-2


name: m-(o-toluidino)phenol sulphate
cas: 93920-37-7
formula: C13H13NO.xH2O4S
inchikey: UPPOYKVRYYAJIK-UHFFFAOYSA-N
norman_susdat_id: NS00092413
smiles: Cc1ccccc1Nc2cccc(O)c2.OS(=O)(=O)O
inchi:
InChI=1/C13H13NO.H2O4S/c1-10-5-2-3-8-13(10)14-11-6-4-7-12(15)9-11;1-5(2,3)4/h2-9,14-15H,1H3;(H2,1,2,3,4)


cas: 93920-40-2
formula: C16H11Cl3N4O4S
inchikey: MLABKJBGEAOKTC-UHFFFAOYSA-N
norman_susdat_id: NS00092414
smiles: OS(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccccc2Cl)C3=O
name:
2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C16H11Cl3N4O4S/c1-8-15(21-20-12-5-3-2-4-9(12)17)16(24)23(22-8)13-6-11(19)14(7-10(13)18)28(25,26)27/h2-7,15H,1H3,(H,25,26,27)


cas: 93920-41-3
formula: C34H25N7O12S3
inchikey: NUELWJVIGMYJMX-UHFFFAOYSA-N
norman_susdat_id: NS00064366
pubchem_cid: 136171069
name:
4-amino-3-[[4'-[(2,4-dihydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C34H25N7O12S3/c35-31-30-20(16-29(56(51,52)53)33(34(30)44)41-38-23-9-12-25(13-10-23)54(45,46)47)15-28(55(48,49)50)32(31)40-37-22-7-3-19(4-8-22)18-1-5-21(6-2-18)36-39-26-14-11-24(42)17-27(26)43/h1-17,42-44H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)

smiles:
O=S(=O)(O)C1=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)O)=CC(=C(N=NC4=CC=C(C=C4)C=5C=CC(N=NC6=CC=C(O)C=C6O)=CC5)C3N)S(=O)(=O)O)C=C1


cas: 93920-42-4
formula: C38H28N8O17S5
inchikey: DHWSFKBCIYZHDH-UHFFFAOYSA-N
norman_susdat_id: NS00064367
pubchem_cid: 136171067
name:
4-amino-3-[[4'-[(8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C38H28N8O17S5/c39-27-17-26(65(52,53)54)13-20-14-29(67(58,59)60)35(37(47)31(20)27)45-42-23-7-3-19(4-8-23)18-1-5-22(6-2-18)41-44-34-28(66(55,56)57)15-21-16-30(68(61,62)63)36(38(48)32(21)33(34)40)46-43-24-9-11-25(12-10-24)64(49,50)51/h1-17,47-48H,39-40H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)

smiles:
O=S(=O)(O)C1=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)O)=CC(=C(N=NC4=CC=C(C=C4)C=5C=CC(N=NC6=C(O)C7=C(N)C=C(C=C7C=C6S(=O)(=O)O)S(=O)(=O)O)=CC5)C3N)S(=O)(=O)O)C=C1


cas: 93920-43-5
formula: C12H36N4O18P6.12H3N
inchikey: YRCQNWPSUNAGBU-UHFFFAOYSA-N
norman_susdat_id: NS00092830
name:
Dodecaammonium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.12H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);12*1H3

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93920-44-6
formula: C15H44N5O21P7.7Na
inchikey: RWKUNNAIHWTFFH-UHFFFAOYSA-D
norman_susdat_id: NS00092116
name:
Heptasodium heptahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diyl[(phosphonomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.7Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;/q;7*+1/p-10

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OP(=O)(O)CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)(O)O)CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93920-45-7
formula: C15H44N5O21P7.8Na
inchikey: SHOUYMGNRPXZJG-UHFFFAOYSA-A
norman_susdat_id: NS00092831
name:
Octasodium hexahydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.8Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;/q;8*+1/p-14

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Sodium isobutyl 2-tetrapropenylsuccinate
cas: 93921-09-6
formula: C20H30O4
inchikey: YJPWQLLGLVVBQU-UHFFFAOYSA-M
norman_susdat_id: NS00064368
pubchem_cid: NA
smiles: [Na+].O=C([O-])C(CC=C)(CC=C)C(C(=O)OCC(C)C)(CC=C)CC=C
inchi:
InChI=1/C20H30O4.Na/c1-7-11-19(12-8-2,17(21)22)20(13-9-3,14-10-4)18(23)24-15-16(5)6;/h7-10,16H,1-4,11-15H2,5-6H3,(H,21,22);/q;+1/p-1


name: Barium 4-dodecylphenolate
cas: 93922-04-4
formula: C18H30O.1/2Ba
inchikey: ALOLCXGUQMXLCJ-UHFFFAOYSA-L
norman_susdat_id: NS00092117
smiles: [Ba+2].CCCCCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCCCCc2ccc([O-])cc2
inchi:
InChI=1/2C18H30O.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17;/h2*13-16,19H,2-12H2,1H3;/q;;+2/p-2


name: Octadecyl hexadecenoate
cas: 93922-68-0
formula: C34H66O2
inchikey: RPFFETLYGXKAFP-UHFFFAOYSA-N
norman_susdat_id: NS00064909
pubchem_cid: 53437850
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C=CCCCCCCCCCCCCC
inchi:
InChI=1/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h30,32H,3-29,31,33H2,1-2H3


name: 2-(4-Amino-3-nitrobenzoyl)benzoic acid
cas: 93923-57-0
chemspiderid: 2076328
dtxsid: DTXSID40239897
formula: C14H10N2O5
inchikey: NYGUWSCZBSDNCA-UHFFFAOYSA-N
norman_susdat_id: NS00039766
pubchem_cid: 2797522
smiles: Nc1c(cc(cc1)C(=O)c1c(cccc1)C(=O)O)[N+](=O)[O-]
inchi:
InChI=1S/C14H10N2O5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,15H2,(H,18,19)


name: 1-[2-[(2-chlorophenyl)amino]ethyl]-4-methylpyridinium hydroxide
cas: 93923-58-1
formula: C14H16ClN2.HO
inchikey: WAYXPYXLWHUWBQ-UHFFFAOYSA-M
norman_susdat_id: NS00092058
smiles: [OH-].Cc1cc[n+](CCNc2ccccc2Cl)cc1
inchi:
InChI=1/C14H16ClN2.H2O/c1-12-6-9-17(10-7-12)11-8-16-14-5-3-2-4-13(14)15;/h2-7,9-10,16H,8,11H2,1H3;1H2/q+1;/p-1


name: 4-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethoxy]-N,N,N-trimethylanilinium hydroxide
cas: 93923-59-2
formula: C25H29ClN5O3.HO
inchikey: MBLXLAQLAKWYOG-UHFFFAOYSA-M
norman_susdat_id: NS00092284
smiles: [OH-].Clc3cc(ccc3N=Nc1ccc(cc1)N(CC)CCOc2ccc(cc2)[N+](C)(C)C)[N+]([O-])=O
inchi:
InChI=1/C25H29ClN5O3.H2O/c1-5-29(16-17-34-23-13-11-22(12-14-23)31(2,3)4)20-8-6-19(7-9-20)27-28-25-15-10-21(30(32)33)18-24(25)26;/h6-15,18H,5,16-17H2,1-4H3;1H2/q+1;/p-1


name: 5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium hydroxide
cas: 93923-60-5
formula: C14H21N6.HO
inchikey: SYJVQYBJGSYISA-UHFFFAOYSA-N
norman_susdat_id: NS00092703
smiles: [OH-].CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC
inchi:
InChI=1/C14H22N6.H2O/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;/h7-11,14H,5-6H2,1-4H3;1H2


cas: 93923-61-6
formula: C33H32N3.HO
inchikey: ZHHLXZAUKUYGMO-UHFFFAOYSA-N
norman_susdat_id: NS00092704
smiles: [OH-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35
name:
[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydroxide

inchi:
InChI=1/C33H31N3.H2O/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H2


cas: 93923-62-7
formula: C43H38ClN9O13PS3
inchikey: FXCLUQXCPUCBCZ-UHFFFAOYSA-J
norman_susdat_id: NS00064255
pubchem_cid: 44148302
name:
Trihydrogen 3-[[4-[[4-chloro-6-[(3-phosphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]amino]-7-[ethyl[(3-sulphonatophenyl)methyl]amino]-5-(4-methoxy-3-sulphonatophenyl)phenazinium

inchi:
InChI=1/C43H37ClN9O13PS3/c1-3-52(24-25-6-4-9-32(18-25)68(57,58)59)29-12-16-34-37(22-29)53(30-13-17-38(66-2)40(23-30)70(63,64)65)36-20-27(10-14-33(36)48-34)45-35-15-11-28(21-39(35)69(60,61)62)47-43-50-41(44)49-42(51-43)46-26-7-5-8-31(19-26)67(54,55)56/h4-23H,3,24H2,1-2H3,(H7,46,47,48,49,50,51,54,55,56,57,58,59,60,61,62,63,64,65)/p-4

smiles:
O=P([O-])([O-])C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC3=CC=C(NC=4C=CC=5N=C6C=CC(=CC6=[N+](C=7C=CC(OC)=C(C7)S(=O)(=O)[O-])C5C4)N(CC8=CC=CC(=C8)S(=O)(=O)[O-])CC)C(=C3)S(=O)(=O)[O-]


name: 3-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium hydroxide
cas: 93923-64-9
formula: C18H21N6.HO
inchikey: MUKXFODQGIRGDG-UHFFFAOYSA-N
norman_susdat_id: NS00091985
smiles: [OH-].CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C
inchi:
InChI=1/C18H22N6.H2O/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;/h4-12H,13-14H2,1-3H3;1H2


name: 2-[(1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]naphthalene-1-sulphonic acid
cas: 93923-65-0
formula: C18H17N3O5S
inchikey: KIDCCTGQAHAUSH-UHFFFAOYSA-N
norman_susdat_id: NS00092285
smiles: O=C3/C=C(/C)\C(\N=Nc2ccc1ccccc1c2S(O)(=O)=O)=C(\O)N3CC
inchi:
InChI=1/C18H17N3O5S/c1-3-21-15(22)10-11(2)16(18(21)23)20-19-14-9-8-12-6-4-5-7-13(12)17(14)27(24,25)26/h4-10,23H,3H2,1-2H3,(H,24,25,26)


name: Decanoic acid, compound with (3-aminopropyl)dimethylammonium octanoate (1:1)
cas: 93923-67-2
formula: C10H20O2.C8H16O2.C5H14N2
inchikey: XDDMZFRCQSAXIM-UHFFFAOYSA-N
norman_susdat_id: NS00092059
smiles: CCCCCCCCCC(=O)O.CCCCCCCC(=O)[O-].C[NH+](C)CCCN
inchi:
InChI=1/C10H20O2.C8H16O2.C5H14N2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-7(2)5-3-4-6/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-6H2,1-2H3


name: Cyclohexane-1,2,3,4,5,6-hexacarboxylic acid, ammonium salt
cas: 93923-68-3
formula: C12H12O12.xH3N
inchikey: IQWACAUJHJCJLI-UHFFFAOYSA-N
norman_susdat_id: NS00092286
smiles: [NH4+].OC(=O)C1C(C(C(C(C1C(=O)O)C(=O)O)C(=O)[O-])C(=O)O)C(=O)O
inchi:
InChI=1/C12H12O12.H3N/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18;/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H3


name: 2'-[(benzyl)amino]-6'-(dibutylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 93923-69-4
dtxsid: DTXSID30917051
formula: C35H36N2O3
inchikey: SYHCRVWICOGSFH-UHFFFAOYSA-N
norman_susdat_id: NS00065468
pubchem_cid: 44147776
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NCC=5C=CC=CC5)N(CCCC)CCCC)C=6C=CC=CC16
inchi:
InChI=1/C35H36N2O3/c1-3-5-20-37(21-6-4-2)27-17-18-30-33(23-27)39-32-19-16-26(36-24-25-12-8-7-9-13-25)22-31(32)35(30)29-15-11-10-14-28(29)34(38)40-35/h7-19,22-23,36H,3-6,20-21,24H2,1-2H3


name: Ethyldimethyl(1-methyl-3,3-diphenylpropyl)ammonium hydroxide
cas: 93923-71-8
formula: C20H28N.HO
inchikey: WAPAVSRTRXAIJR-UHFFFAOYSA-M
norman_susdat_id: NS00092060
smiles: [OH-].CC[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2
inchi:
InChI=1/C20H28N.H2O/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20H,5,16H2,1-4H3;1H2/q+1;/p-1


name: 23-(4-nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosyl hydrogen sulphate
cas: 93923-72-9
dtxsid: DTXSID00917048
formula: C31H56O12S
inchikey: AJMIMOSFEVIRIA-UHFFFAOYSA-N
norman_susdat_id: NS00065469
pubchem_cid: NA
smiles: O=S(=O)(O)OCCOCCOCCOCCOCCOCCOCCOCCOC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C31H56O12S/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)42-28-26-40-24-22-38-20-18-36-16-14-35-15-17-37-19-21-39-23-25-41-27-29-43-44(32,33)34/h10-13H,2-9,14-29H2,1H3,(H,32,33,34)


name: N,N'-[ethane-1,2-diylbis[(acetylimino)ethane-1,2-diyl]]distearamide
cas: 93923-73-0
formula: C46H90N4O4
inchikey: IBHSIUGNTUUUFL-UHFFFAOYSA-N
norman_susdat_id: NS00064256
pubchem_cid: 99712801
smiles: O=C(NCCN(C(=O)C)CCN(C(=O)C)CCNC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C46H90N4O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(53)47-37-39-49(43(3)51)41-42-50(44(4)52)40-38-48-46(54)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-42H2,1-4H3,(H,47,53)(H,48,54)


name: N,N'-[ethane-1,2-diylbis[(acetylimino)ethane-2,1-diyl]]bishexadecan-1-amide
cas: 93923-74-1
formula: C42H82N4O4
inchikey: IGNGXZWOXCHKKO-UHFFFAOYSA-N
norman_susdat_id: NS00064697
pubchem_cid: 99713620
smiles: O=C(NCCN(C(=O)C)CCN(C(=O)C)CCNC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C42H82N4O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41(49)43-33-35-45(39(3)47)37-38-46(40(4)48)36-34-44-42(50)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3,(H,43,49)(H,44,50)


name: Sodium 1,2,3,4-tetrahydro-2-hydroxy-7-methoxynaphthalene-2-sulphonate
cas: 93923-75-2
dtxsid: DTXSID40917047
formula: C11H14O5S
inchikey: IUTBJWJEXIBQFF-UHFFFAOYSA-M
norman_susdat_id: NS00064698
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1(O)CC2=CC(OC)=CC=C2CC1
inchi:
InChI=1/C11H14O5S.Na/c1-16-10-3-2-8-4-5-11(12,17(13,14)15)7-9(8)6-10;/h2-3,6,12H,4-5,7H2,1H3,(H,13,14,15);/q;+1/p-1


cas: 93923-81-0
formula: C24H21ClN5O5
inchikey: HFPXWJBBCFNLEG-UHFFFAOYSA-N
norman_susdat_id: NS00064257
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(C=C2[N+](=O)[O-])C(=O)C=3C=CC=CC3Cl)C1C)CCCC
name:
1-butyl-5-[[4-(2-chlorobenzoyl)-2-nitrophenyl]azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile

inchi:
InChI=1/C24H20ClN5O5/c1-3-4-11-29-23(32)17(13-26)14(2)21(24(29)33)28-27-19-10-9-15(12-20(19)30(34)35)22(31)16-7-5-6-8-18(16)25/h5-10,12,33H,3-4,11H2,1-2H3


name: 5-hydroxy-3-(hydroxymethyl)pentyl hydrogen cyclohex-4-ene-1,2-dicarboxylate
cas: 93923-82-1
dtxsid: DTXSID80917041
formula: C14H22O6
inchikey: JMOHLXDZKHGJMS-UHFFFAOYSA-N
norman_susdat_id: NS00064699
pubchem_cid: 56844027
smiles: O=C(O)C1CC=CCC1C(=O)OCCC(CO)CCO
inchi:
InChI=1/C14H22O6/c15-7-5-10(9-16)6-8-20-14(19)12-4-2-1-3-11(12)13(17)18/h1-2,10-12,15-16H,3-9H2,(H,17,18)


name: [5-hydroxy-3-(hydroxymethyl)pentyl] hydrogen cyclohexane-1,2-dicarboxylate
cas: 93923-83-2
dtxsid: DTXSID20917040
formula: C14H24O6
inchikey: QMAPLURXUAQAPQ-UHFFFAOYSA-N
norman_susdat_id: NS00064258
pubchem_cid: 44145187
smiles: O=C(O)C1CCCCC1C(=O)OCCC(CO)CCO
inchi:
InChI=1/C14H24O6/c15-7-5-10(9-16)6-8-20-14(19)12-4-2-1-3-11(12)13(17)18/h10-12,15-16H,1-9H2,(H,17,18)


name: N-(N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)glycyl)glycine
cas: 93923-88-7
chemspiderid: 2289302
dtxsid: DTXSID00239898
formula: C14H13N3O6
inchikey: QPJQIQMWOUOCOY-UHFFFAOYSA-N
norman_susdat_id: NS00039767
pubchem_cid: 3022943
smiles: OC(=O)CNC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C14H13N3O6/c18-10(16-6-12(20)21)5-15-11(19)7-17-13(22)8-3-1-2-4-9(8)14(17)23/h1-4H,5-7H2,(H,15,19)(H,16,18)(H,20,21)


name: 7-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-amine monohydrochloride
cas: 93923-93-4
dtxsid: DTXSID30917036
formula: C12H10FN3S
inchikey: KZZRAACCTRERLP-UHFFFAOYSA-N
norman_susdat_id: NS00064177
pubchem_cid: 136192419
smiles: Cl.FC=1C=CC=2NC=3SC(=CC3C(=NC2C1)N)C
inchi:
InChI=1/C12H10FN3S.ClH/c1-6-4-8-11(14)15-10-5-7(13)2-3-9(10)16-12(8)17-6;/h2-5,16H,1H3,(H2,14,15);1H


name: Butyl 4-amino-3-[3-(trifluoromethyl)phenyl]isothiazole-5-carboxylate
cas: 93923-94-5
dtxsid: DTXSID10239900
formula: C15H15F3N2O2S
inchikey: RZQNJAZKCZDNHY-UHFFFAOYSA-N
norman_susdat_id: NS00064309
pubchem_cid: 3022945
smiles: O=C(OCCCC)C=1SN=C(C=2C=CC=C(C2)C(F)(F)F)C1N
inchi:
InChI=1/C15H15F3N2O2S/c1-2-3-7-22-14(21)13-11(19)12(20-23-13)9-5-4-6-10(8-9)15(16,17)18/h4-6,8H,2-3,7,19H2,1H3


name: Potassium hydrogen 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate
cas: 93923-95-6
formula: C18H14N2O6S.K
inchikey: ROYDBDOJXOPQFH-UHFFFAOYSA-M
norman_susdat_id: NS00092006
smiles: [H+].[K+].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O
inchi:
InChI=1/C18H14N2O6S.K.H2/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;1H/q;2*+1/p-2


name: 1-(2-carboxylatoethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium
cas: 93923-96-7
dtxsid: DTXSID70239901
formula: C19H38N2O3
inchikey: MOTFLIXXADEUHJ-UHFFFAOYSA-N
norman_susdat_id: NS00064749
pubchem_cid: NA
smiles: O=C([O-])CC[NH+]1CCN(CCO)C1CCCCCCCCCCC
inchi:
InChI=1/C19H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-18-20(13-12-19(23)24)14-15-21(18)16-17-22/h18,22H,2-17H2,1H3,(H,23,24)


name: 1-(2-carboxylatoethyl)-2-(dec-9-enyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium
cas: 93923-97-8
dtxsid: DTXSID30239902
formula: C18H34N2O3
inchikey: XWDLYGRNFCQQDJ-UHFFFAOYSA-N
norman_susdat_id: NS00064763
pubchem_cid: NA
smiles: O=C([O-])CC[NH+]1CCN(CCO)C1CCCCCCCCC=C
inchi:
InChI=1/C18H34N2O3/c1-2-3-4-5-6-7-8-9-10-17-19(12-11-18(22)23)13-14-20(17)15-16-21/h2,17,21H,1,3-16H2,(H,22,23)


name: (Z)-1-(2-carboxylatoethyl)-2-(heptadec-8-enyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium
cas: 93923-99-0
formula: C25H48N2O3
inchikey: VFRKGJMOZDJYMB-KTKRTIGZSA-N
norman_susdat_id: NS00065498
pubchem_cid: NA
smiles: O=C([O-])CC[NH+]1CCN(CCO)C1CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26(19-18-25(29)30)20-21-27(24)22-23-28/h9-10,24,28H,2-8,11-23H2,1H3,(H,29,30)


cas: 93924-01-7
formula: C30H26ClN9O13S4
inchikey: JMFQAOOSZDYBGF-UHFFFAOYSA-N
norman_susdat_id: NS00064310
pubchem_cid: 20846455
name:
2-[[4-[[4-[[4-chloro-6-[(2,5-disulphophenyl)amino]-1,3,5-triazin-2-yl]methylamino]phenyl]azo]-5-methoxy-2-methylphenyl]azo]benzene-1,4-disulphonic acid

inchi:
InChI=1/C30H26ClN9O13S4/c1-16-12-22(25(53-3)15-21(16)37-39-24-14-20(55(44,45)46)9-11-27(24)57(50,51)52)38-36-17-4-6-18(7-5-17)40(2)30-34-28(31)33-29(35-30)32-23-13-19(54(41,42)43)8-10-26(23)56(47,48)49/h4-15H,1-3H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,32,33,34,35)

smiles:
O=S(=O)(O)C1=CC=C(C(N=NC=2C=C(OC)C(N=NC3=CC=C(C=C3)N(C=4N=C(Cl)N=C(N4)NC5=CC(=CC=C5S(=O)(=O)O)S(=O)(=O)O)C)=CC2C)=C1)S(=O)(=O)O


name: 4,4'-(Octahydro-4,7-methano-1H-indenediyl)bis(2,6-xylenol)
cas: 93924-02-8
dtxsid: DTXSID40897416
formula: C26H32O2
inchikey: NTNHMKQNPOAEHC-UHFFFAOYSA-N
norman_susdat_id: NS00093679
smiles: CC1=CC(=CC(C)=C1O)C1CC2C3CCC(C3)C2C1C1=CC(C)=C(O)C(C)=C1
inchi:
InChI=1/C26H32O2/c1-13-7-19(8-14(2)25(13)27)22-12-21-17-5-6-18(11-17)23(21)24(22)20-9-15(3)26(28)16(4)10-20/h7-10,17-18,21-24,27-28H,5-6,11-12H2,1-4H3


name: [2-(8-heptadecenyl)-4,5-dihydro-4-(hydroxymethyl)oxazole-4-yl]methyl oleate
cas: 93939-73-2
formula: C40H73NO4
inchikey: BENOUNWWROPAGZ-FKVHLOHMSA-N
norman_susdat_id: NS00064015
pubchem_cid: NA
smiles: O=C(OCC1(N=C(OC1)CCCCCCCC=CCCCCCCCC)CO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C40H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-41-40(35-42,36-44-38)37-45-39(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42H,3-16,21-37H2,1-2H3


name: Dipotassium methylenebisnaphthalenesulphonate
cas: 93939-75-4
formula: C21H16O6S2.2K
inchikey: MEYAFYMMIMMZNF-UHFFFAOYSA-L
norman_susdat_id: NS00092196
smiles: [K+].[K+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14
inchi:
InChI=1/C21H16O6S2.2K/c22-28(23,24)20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)29(25,26)27;;/h1-12H,13H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


cas: 93939-88-9
formula: C15H44N5O21P7.9Na
inchikey: COEVCNJLUSHIDJ-UHFFFAOYSA-A
norman_susdat_id: NS00092663
name:
Nonasodium pentahydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.9Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;/q;9*+1/p-14

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93939-89-0
formula: C15H44N5O21P7.13Na
inchikey: SXRKALVIPLMNLF-UHFFFAOYSA-A
norman_susdat_id: NS00092020
name:
Tridecasodium hydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.13Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;;;;;/q;13*+1/p-14

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93939-90-3
formula: C15H44N5O21P7.14Na
inchikey: RZJDLGPFMTYOCN-UHFFFAOYSA-A
norman_susdat_id: NS00091962
name:
Tetradecasodium [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.14Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;;;;;;/q;14*+1/p-14

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93939-92-5
formula: C15H44N5O21P7.8K
inchikey: DDJRLNMDVPAJQK-UHFFFAOYSA-A
norman_susdat_id: NS00092664
name:
Octapotassium hexahydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.8K/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;/q;8*+1/p-14

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93939-94-7
formula: C15H44N5O21P7.13K
inchikey: FFTZVYUBSHCMDX-UHFFFAOYSA-A
norman_susdat_id: NS00092665
name:
Tridecapotassium hydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.13K/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;;;;;/q;13*+1/p-14

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 93939-95-8
formula: C15H44N5O21P7.14K
inchikey: QJICRJMBKZDZJX-UHFFFAOYSA-A
norman_susdat_id: NS00092251
name:
Tetradecapotassium [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C15H44N5O21P7.14K/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;;;;;;/q;14*+1/p-14

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulphonate
cas: 93939-97-0
formula: C18H14N5O8S
inchikey: JPVSKZFBYWSIGN-UHFFFAOYSA-M
norman_susdat_id: NS00065371
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=CC=C(N=NC3=CC(=CC=C3O)S(=O)(=O)[O-])C2O)C=C1
inchi:
InChI=1/C18H13N5O8S.Na/c24-15-7-5-12(32(29,30)31)9-14(15)21-20-13-6-8-16(25)17(18(13)26)22-19-10-1-3-11(4-2-10)23(27)28;/h1-9,24-26H,(H,29,30,31);/q;+1/p-1


cas: 93939-98-1
formula: C28H20N8O14S2
inchikey: OELVARRDNPTXHJ-UHFFFAOYSA-L
norman_susdat_id: NS00065372
pubchem_cid: 25263067
name:
Disodium 4-[[2,4-dihydroxy-3-[(2-hydroxy-4-nitrophenyl)azo]-5-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C28H18N8O14S2.2Na/c37-23-9-16(36(43)44)5-6-19(23)30-34-26-27(39)21(32-29-14-1-3-15(4-2-14)35(41)42)12-22(28(26)40)33-31-20-10-17(51(45,46)47)7-13-8-18(52(48,49)50)11-24(38)25(13)20;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C=C(N=NC=3C=C(C=C4C=C(C=C(O)C34)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=C(N=NC5=CC=C(C=C5O)[N+](=O)[O-])C2O)C=C1


cas: 93939-99-2
formula: C28H20N8O14S2
inchikey: WAKNSBKOIZXFJC-UHFFFAOYSA-L
norman_susdat_id: NS00064641
pubchem_cid: 135854084
name:
Disodium 4-[[2,4-dihydroxy-5-[(2-hydroxy-4-nitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C28H18N8O14S2.2Na/c37-23-9-16(36(43)44)5-6-19(23)30-32-21-12-22(28(40)26(27(21)39)34-29-14-1-3-15(4-2-14)35(41)42)33-31-20-10-17(51(45,46)47)7-13-8-18(52(48,49)50)11-24(38)25(13)20;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C(N=NC3=CC=C(C=C3O)[N+](=O)[O-])C=C(N=NC=4C=C(C=C5C=C(C=C(O)C45)S(=O)(=O)[O-])S(=O)(=O)[O-])C2O)C=C1


cas: 93940-00-2
formula: C28H20N8O14S2
inchikey: HKNXIPSDRJZBDM-UHFFFAOYSA-L
norman_susdat_id: NS00064076
pubchem_cid: 25263069
name:
Disodium 6-[[2,6-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C28H18N8O14S2.2Na/c37-22-8-7-19(31-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44)28(40)24(22)33-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-29-14-3-5-16(6-4-14)35(41)42;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C=C(N=NC=4C(O)=CC=C(N=NC=5C=C(C=C(C5O)[N+](=O)[O-])S(=O)(=O)[O-])C4O)C=CC3=CC2S(=O)(=O)[O-])C=C1


cas: 93940-01-3
formula: C28H20N6O9S2
inchikey: ALPDFEDXAZOZMV-UHFFFAOYSA-L
norman_susdat_id: NS00064642
pubchem_cid: NA
name:
Disodium 7-[[2,6-dihydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C28H20N6O9S2.2Na/c35-25-12-11-24(33-31-18-3-1-17(2-4-18)29-30-19-5-8-21(9-6-19)44(38,39)40)28(37)27(25)34-32-20-7-10-23-16(13-20)14-22(15-26(23)36)45(41,42)43;;/h1-15,35-37H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C(N=NC=4C=CC5=C(O)C=C(C=C5C4)S(=O)(=O)[O-])=C3O)C=C2)C=C1


name: Disodium 4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate
cas: 93940-02-4
formula: C22H16N4O9S2
inchikey: XELOODZFBHGMRI-UHFFFAOYSA-L
norman_susdat_id: NS00064077
pubchem_cid: 136823005
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C2=C(N=NC3=CC=C(O)C(N=NC=4C=CC=CC4)=C3O)C=C(C=C2C1)S(=O)(=O)[O-]
inchi:
InChI=1/C22H16N4O9S2.2Na/c27-18-7-6-16(22(29)21(18)26-23-13-4-2-1-3-5-13)24-25-17-10-14(36(30,31)32)8-12-9-15(37(33,34)35)11-19(28)20(12)17;;/h1-11,27-29H,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


name: 4-[(2-methoxy-5-methylphenyl)azo]naphthol
cas: 93940-03-5
dtxsid: DTXSID60917024
formula: C18H16N2O2
inchikey: FWAFJTHBQBNFMA-UHFFFAOYSA-N
norman_susdat_id: NS00064196
pubchem_cid: 136171185
smiles: OC1=CC=C(N=NC2=CC(=CC=C2OC)C)C=3C=CC=CC13
inchi:
InChI=1/C18H16N2O2/c1-12-7-10-18(22-2)16(11-12)20-19-15-8-9-17(21)14-6-4-3-5-13(14)15/h3-11,21H,1-2H3


cas: 93940-04-6
formula: C29H25N9O7S2
inchikey: IQWZPWJAKXZFNJ-UHFFFAOYSA-L
norman_susdat_id: NS00065387
pubchem_cid: 135854014
name:
Disodium 4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)azo]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C29H25N9O7S2.2Na/c1-15-11-22(21(31)14-20(15)30)36-33-18-7-9-19(10-8-18)35-37-27-23(46(40,41)42)12-16-13-24(47(43,44)45)28(29(39)25(16)26(27)32)38-34-17-5-3-2-4-6-17;;/h2-14,39H,30-32H2,1H3,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(N=NC=4C=C(C(N)=CC4N)C)C=C3)C(N)=C2C(O)=C1N=NC=5C=CC=CC5)S(=O)(=O)[O-]


cas: 93940-05-7
formula: C37H24N6O12S5
inchikey: CKKAWZBUXZELMJ-UHFFFAOYSA-K
norman_susdat_id: NS00065388
pubchem_cid: NA
name:
Trisodium 4-[[2,4-dihydroxy-3-[[4-(6-methyl-7-sulphonato[2,6'-bibenzothiazol]-2'-yl)phenyl]azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C37H24N6O12S5.3Na/c1-17-2-8-26-34(35(17)60(53,54)55)57-37(39-26)19-5-9-24-30(14-19)56-36(38-24)18-3-6-21(7-4-18)40-43-32-28(44)11-10-25(33(32)46)41-42-27-15-22(58(47,48)49)12-20-13-23(59(50,51)52)16-29(45)31(20)27;;;/h2-16,44-46H,1H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C2=C(N=NC3=CC=C(O)C(N=NC4=CC=C(C=C4)C5=NC6=CC=C(C=C6S5)C7=NC8=CC=C(C(=C8S7)S(=O)(=O)[O-])C)=C3O)C=C(C=C2C1)S(=O)(=O)[O-]


name: Sodium 4-[[4-[4-nitrophenyl]anilino]azo]benzenesulphonate
cas: 93940-11-5
formula: C18H14N4O5S.Na
inchikey: NKBXUNLLXMGLRN-UHFFFAOYSA-M
norman_susdat_id: NS00091963
smiles: [Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(NN=Nc2ccc(cc2)S([O-])(=O)=O)cc3
inchi:
InChI=1/C18H14N4O5S.Na/c23-22(24)17-9-3-14(4-10-17)13-1-5-15(6-2-13)19-21-20-16-7-11-18(12-8-16)28(25,26)27;/h1-12H,(H,19,20)(H,25,26,27);/q;+1/p-1


name: Disodium 4-amino-1-bromo-9,10-dihydro-9,10-dioxoanthracene-3,5-disulphonate
cas: 93940-12-6
formula: C14H8BrNO8S2.2Na
inchikey: FDBJRLVYJPMZRS-UHFFFAOYSA-L
norman_susdat_id: NS00091964
smiles: [Na+].[Na+].Nc1c2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c2c(Br)cc1S(=O)(=O)[O-]
inchi:
InChI=1/C14H8BrNO8S2.2Na/c15-6-4-8(26(22,23)24)12(16)11-10(6)13(17)5-2-1-3-7(25(19,20)21)9(5)14(11)18;;/h1-4H,16H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2


name: N-(3-cyano-9,10-dihydro-9,10-dioxo-2-anthryl)[1,1'-biphenyl]-4-carboxamide
cas: 93940-14-8
dtxsid: DTXSID10917019
formula: C28H16N2O3
inchikey: GJJVYWHXZQSRDO-UHFFFAOYSA-N
norman_susdat_id: NS00064672
pubchem_cid: 44152882
smiles: N#CC=1C=C2C(=O)C=3C=CC=CC3C(=O)C2=CC1NC(=O)C=4C=CC(=CC4)C=5C=CC=CC5
inchi:
InChI=1/C28H16N2O3/c29-16-20-14-23-24(27(32)22-9-5-4-8-21(22)26(23)31)15-25(20)30-28(33)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H,(H,30,33)


name: Disodium 1-amino-4-bromo-9,10-dihydro-9,10-dioxoanthracene-2,5-disulphonate
cas: 93940-15-9
formula: C14H8BrNO8S2.2Na
inchikey: DVCJPUJHOIUTEL-UHFFFAOYSA-L
norman_susdat_id: NS00092692
smiles: [Na+].[Na+].Nc1c2C(=O)c3cccc(c3C(=O)c2c(Br)cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C14H8BrNO8S2.2Na/c15-6-4-8(26(22,23)24)12(16)11-10(6)14(18)9-5(13(11)17)2-1-3-7(9)25(19,20)21;;/h1-4H,16H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2


name: N-(5,8-Bis((9,10-dihydro-9,10-dioxo-1-anthryl)amino)-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
cas: 93940-16-0
chemspiderid: 4675689
dtxsid: DTXSID30239907
formula: C49H27N3O7
inchikey: GMLICCAWSVNEBJ-UHFFFAOYSA-N
norman_susdat_id: NS00039772
pubchem_cid: 5744190
inchi:
InChI=1S/C49H27N3O7/c53-43-26-13-4-6-15-28(26)45(55)38-30(43)17-8-20-33(38)50-36-23-24-37(51-34-21-9-18-31-39(34)46(56)29-16-7-5-14-27(29)44(31)54)42-41(36)47(57)32-19-10-22-35(40(32)48(42)58)52-49(59)25-11-2-1-3-12-25/h1-24,50-51H,(H,52,59)

smiles:
O=C(Nc1c2C(=O)c3c(Nc4c5C(=O)c6ccccc6C(=O)c5ccc4)ccc(Nc4c5C(=O)c6ccccc6C(=O)c5ccc4)c3C(=O)c2ccc1)c1ccccc1


name: Ethyldimethyl[2-[(2-methylphenyl)phenylmethoxy]ethyl]ammonium chloride
cas: 93940-17-1
dtxsid: DTXSID90917017
formula: C20H28NO
inchikey: QRMHFXKGPIZXJN-UHFFFAOYSA-M
norman_susdat_id: NS00064673
pubchem_cid: 21149758
smiles: [Cl-].O(CC[N+](C)(C)CC)C(C=1C=CC=CC1)C=2C=CC=CC2C
inchi:
InChI=1/C20H28NO.ClH/c1-5-21(3,4)15-16-22-20(18-12-7-6-8-13-18)19-14-10-9-11-17(19)2;/h6-14,20H,5,15-16H2,1-4H3;1H/q+1;/p-1


name: trans-trans-4,4'-iminodimethylenedi(cyclohexanecarboxylic acid)
cas: 93940-19-3
dtxsid: DTXSID30917016
formula: C16H27NO4
inchikey: XHPXSMWMAJGYBS-UHFFFAOYSA-N
norman_susdat_id: NS00064107
pubchem_cid: 44153360
smiles: O=C(O)C1CCC(CNCC2CCC(C(=O)O)CC2)CC1
inchi:
InChI=1/C16H27NO4/c18-15(19)13-5-1-11(2-6-13)9-17-10-12-3-7-14(8-4-12)16(20)21/h11-14,17H,1-10H2,(H,18,19)(H,20,21)


name: 3,3'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[1-triazene-1-carbonitrile]
cas: 93940-21-7
formula: C16H14N8O2
inchikey: PEGQAOVWHYLVFW-UHFFFAOYSA-N
norman_susdat_id: NS00064233
pubchem_cid: 44152742
smiles: N#CN=NNC1=CC=C(C=C1OC)C=2C=CC(NN=NC#N)=C(OC)C2
inchi:
InChI=1/C16H14N8O2/c1-25-15-7-11(3-5-13(15)21-23-19-9-17)12-4-6-14(16(8-12)26-2)22-24-20-10-18/h3-8H,1-2H3,(H,19,21)(H,20,22)


name: 1-(3,4-diethoxyphenyl)-6,7-diethoxyisoquinolinium chloride
cas: 93940-25-1
dtxsid: DTXSID10917014
formula: C23H27NO4
inchikey: XLXNBZYNEIRAJA-UHFFFAOYSA-N
norman_susdat_id: NS00065422
pubchem_cid: 16205884
smiles: [Cl-].O(C1=CC=C(C=C1OCC)C2=[NH+]C=CC3=CC(OCC)=C(OCC)C=C32)CC
inchi:
InChI=1/C23H27NO4.ClH/c1-5-25-19-10-9-17(14-20(19)26-6-2)23-18-15-22(28-8-4)21(27-7-3)13-16(18)11-12-24-23;/h9-15H,5-8H2,1-4H3;1H


name: Ethyl 2-[[2-[(2-ethylhexyl)oxy]ethylidene]amino]benzoate
cas: 93940-29-5
formula: C19H29NO3
inchikey: CEAWCPLOWUCLGI-UHFFFAOYSA-N
norman_susdat_id: NS00064272
pubchem_cid: 3022970
smiles: O=C(OCC)C=1C=CC=CC1N=CCOCC(CC)CCCC
inchi:
InChI=1/C19H29NO3/c1-4-7-10-16(5-2)15-22-14-13-20-18-12-9-8-11-17(18)19(21)23-6-3/h8-9,11-13,16H,4-7,10,14-15H2,1-3H3


name: Methyl 2-[[2-[(3,7-dimethyl-6-octenyl)oxy]ethylidene]amino]benzoate
cas: 93940-30-8
formula: C20H29NO3
inchikey: SXANTGZGHBDWBX-UHFFFAOYSA-N
norman_susdat_id: NS00063921
pubchem_cid: 3022971
smiles: O=C(OC)C=1C=CC=CC1N=CCOCCC(C)CCC=C(C)C
inchi:
InChI=1/C20H29NO3/c1-16(2)8-7-9-17(3)12-14-24-15-13-21-19-11-6-5-10-18(19)20(22)23-4/h5-6,8,10-11,13,17H,7,9,12,14-15H2,1-4H3


name: (Z)-3-hexenyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
cas: 93940-31-9
formula: C23H35NO3
inchikey: YSEJJZAIYYXXRI-GLLGPOMSSA-N
norman_susdat_id: NS00063805
pubchem_cid: 20836283
smiles: O=C(OCCC=CCC)C=1C=CC=CC1N=CCC(C)CCCC(O)(C)C
inchi:
InChI=1/C23H35NO3/c1-5-6-7-10-18-27-22(25)20-13-8-9-14-21(20)24-17-15-19(2)12-11-16-23(3,4)26/h6-9,13-14,17,19,26H,5,10-12,15-16,18H2,1-4H3


name: 3-(diethylamino)-N-phenylbutyramide monohydrochloride
cas: 93940-32-0
formula: C14H22N2O.ClH
inchikey: AFAGKKJVZIQRMO-UHFFFAOYSA-N
norman_susdat_id: NS00092503
smiles: Cl.CCN(CC)C(C)CC(=O)Nc1ccccc1
inchi:
InChI=1/C14H22N2O.ClH/c1-4-16(5-2)12(3)11-14(17)15-13-9-7-6-8-10-13;/h6-10,12H,4-5,11H2,1-3H3,(H,15,17);1H


name: N-(2,4-dichlorophenyl)-ß-methylpiperidin-1-propionamide monohydrochloride
cas: 93940-33-1
dtxsid: DTXSID90917012
formula: C15H20Cl2N2O
inchikey: ABPFCLBHEOJRTQ-UHFFFAOYSA-N
norman_susdat_id: NS00063922
pubchem_cid: 44146892
smiles: Cl.O=C(NC1=CC=C(Cl)C=C1Cl)CC(N2CCCCC2)C
inchi:
InChI=1/C15H20Cl2N2O.ClH/c1-11(19-7-3-2-4-8-19)9-15(20)18-14-6-5-12(16)10-13(14)17;/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20);1H


name: 6-[(tert-butyl)amino]-N,N'-di-tert-butyl-1,3,5-triazine-2,4-disulphenamide
cas: 93940-34-2
dtxsid: DTXSID30917011
formula: C15H30N6S2
inchikey: VQQATQRXSKKPPV-UHFFFAOYSA-N
norman_susdat_id: NS00064292
pubchem_cid: 11971190
smiles: N=1C(=NC(=NC1SNC(C)(C)C)NC(C)(C)C)SNC(C)(C)C
inchi:
InChI=1/C15H30N6S2/c1-13(2,3)19-10-16-11(22-20-14(4,5)6)18-12(17-10)23-21-15(7,8)9/h20-21H,1-9H3,(H,16,17,18,19)


name: Bis[(8a,9R)-9-hydroxy-6'-methoxycinchonan] 3,7-bisisopropylnaphthalene-1,5-disulphonate
cas: 93940-40-0
formula: C20H24N2O2.1/2C18H24O6S2
inchikey: VIWBPSWETXXUCQ-VMJVVOMYSA-N
norman_susdat_id: NS00092073
inchi:
InChI=1/2C20H24N2O2.C16H20O6S2/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-9(2)11-5-13-14(15(7-11)23(17,18)19)6-12(10(3)4)8-16(13)24(20,21)22/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;5-10H,1-4H3,(H,17,18,19)(H,20,21,22)

smiles:
COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.CC(C)c9cc(c%10cc(cc(c%10c9)S(=O)(=O)O)C(C)C)S(=O)(=O)O


name: Disodium 3,7-bis(tert-butyl)naphthalene-1,5-disulphonate
cas: 93940-41-1
formula: C18H24O6S2.2Na
inchikey: JVDBZXPNXKZBHM-UHFFFAOYSA-L
norman_susdat_id: NS00092074
smiles: [Na+].[Na+].CC(C)(C)c1cc(c2cc(cc(c2c1)S(=O)(=O)[O-])C(C)(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C18H24O6S2.2Na/c1-17(2,3)11-7-13-14(15(9-11)25(19,20)21)8-12(18(4,5)6)10-16(13)26(22,23)24;;/h7-10H,1-6H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2


name: 1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diundecenoate
cas: 93940-47-7
formula: C30H40N4.2C11H19O2
inchikey: BFNNQDZDKZAKBU-UHFFFAOYSA-N
norman_susdat_id: NS00092075
smiles: [O-]C(=O)C=CCCCCCCCC.[O-]C(=O)C=CCCCCCCCC.Nc4cc(C)[n+](CCCCCCCCCC[n+]2c1ccccc1c(N)cc2C)c3ccccc34
inchi:
InChI=1/C30H38N4.2C11H20O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2-3-4-5-6-7-8-9-10-11(12)13/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*9-10H,2-8H2,1H3,(H,12,13)


cas: 93940-48-8
formula: C34H26N6O12S3
inchikey: WHROGSYIXXKQAJ-UHFFFAOYSA-N
norman_susdat_id: NS00063940
pubchem_cid: 3022975
name:
4-hydroxy-7-[[[[5-hydroxy-6-[(4-methyl-3-sulphophenyl)azo]-7-sulpho-2-naphthyl]amino]carbonyl]amino]-3-(phenylazo)naphthalene-2-sulphonic acid

inchi:
InChI=1/C34H26N6O12S3/c1-18-7-8-24(17-27(18)53(44,45)46)38-40-31-29(55(50,51)52)16-20-14-23(10-12-26(20)33(31)42)36-34(43)35-22-9-11-25-19(13-22)15-28(54(47,48)49)30(32(25)41)39-37-21-5-3-2-4-6-21/h2-17,41-42H,1H3,(H2,35,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)

smiles:
O=C(NC=1C=CC2=C(O)C(N=NC=3C=CC=CC3)=C(C=C2C1)S(=O)(=O)O)NC=4C=CC5=C(O)C(N=NC6=CC=C(C(=C6)S(=O)(=O)O)C)=C(C=C5C4)S(=O)(=O)O


cas: 93940-49-9
formula: C45H36N4O10S2
inchikey: YBFZDXHFZMMVQO-UHFFFAOYSA-N
norman_susdat_id: NS00065108
pubchem_cid: 44148157
name:
4,4'-[methylenebis[(3,5-dimethyl-4,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid]

inchi:
InChI=1/C45H36N4O10S2/c1-20-13-24(48-32-18-34(60(54,55)56)40(46)38-36(32)42(50)26-9-5-7-11-28(26)44(38)52)14-21(2)30(20)17-31-22(3)15-25(16-23(31)4)49-33-19-35(61(57,58)59)41(47)39-37(33)43(51)27-10-6-8-12-29(27)45(39)53/h5-16,18-19,48-49H,17,46-47H2,1-4H3,(H,54,55,56)(H,57,58,59)

smiles:
O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC=4C=C(C(=C(C4)C)CC=5C(=CC(=CC5C)NC=6C=C(C(N)=C7C(=O)C=8C=CC=CC8C(=O)C67)S(=O)(=O)O)C)C


name: Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate
cas: 93940-50-2
dtxsid: DTXSID20239911
formula: C21H16N2O6S
inchikey: YGJIKHLXGNXSOL-UHFFFAOYSA-M
norman_susdat_id: NS00063941
pubchem_cid: 3022977
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC(O)=C(N)C13)NC4=CC=C(C=C4S(=O)(=O)[O-])C
inchi:
InChI=1/C21H16N2O6S.Na/c1-10-6-7-13(16(8-10)30(27,28)29)23-14-9-15(24)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26;/h2-9,23-24H,22H2,1H3,(H,27,28,29);/q;+1/p-1


name: Sodium 3-[(8-acetamido-2-hydroxy-1-naphthyl)azo]-5-chloro-4-hydroxybenzenesulphonate
cas: 93940-51-3
formula: C18H14ClN3O6S
inchikey: SDXATAAFWMHLKC-UHFFFAOYSA-M
norman_susdat_id: NS00064294
pubchem_cid: 3022979
smiles: [Na+].O=C(NC=1C=CC=C2C=CC(O)=C(N=NC3=CC(=CC(Cl)=C3O)S(=O)(=O)[O-])C21)C
inchi:
InChI=1/C18H14ClN3O6S.Na/c1-9(23)20-13-4-2-3-10-5-6-15(24)17(16(10)13)22-21-14-8-11(29(26,27)28)7-12(19)18(14)25;/h2-8,24-25H,1H3,(H,20,23)(H,26,27,28);/q;+1/p-1


name: 3-[4,5-dihydro-4-[(2-methoxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide
cas: 93940-52-4
formula: C17H17N6O6S
inchikey: QLPVKUZJTMZPJA-UHFFFAOYSA-N
norman_susdat_id: NS00064295
pubchem_cid: 3022980
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(C=C2OC)[N+](=O)[O-])C3=CC=CC(=C3)S(=O)(=O)N
inchi:
InChI=1/C17H16N6O6S/c1-10-16(20-19-14-7-6-12(23(25)26)9-15(14)29-2)17(24)22(21-10)11-4-3-5-13(8-11)30(18,27)28/h3-9,16H,1-2H3,(H2,18,27,28)


name: Lithium tert-butylnaphthalenesulphonate
cas: 93940-56-8
formula: C14H16O3S
inchikey: KGNJKFZYGXNHIP-UHFFFAOYSA-M
norman_susdat_id: NS00063806
pubchem_cid: 3022982
smiles: [Li+].O=S(=O)([O-])C=1C=2C=CC=CC2C=CC1C(C)(C)C
inchi:
InChI=1/C14H16O3S.Li/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)18(15,16)17;/h4-9H,1-3H3,(H,15,16,17);/q;+1/p-1


name: Lithium 1-methylnaphthalenesulphonate
cas: 93940-57-9
formula: C11H10O3S.Li
inchikey: TWYJJCQNWVAUET-UHFFFAOYSA-M
norman_susdat_id: NS00092511
smiles: [Li+].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-]
inchi:
InChI=1/C11H12O3S.Li/c1-11(15(12,13)14)8-4-6-9-5-2-3-7-10(9)11;/h2-7H,8H2,1H3,(H,12,13,14);/q;+1/p-1


name: Lithium butylnaphthalenesulphonate
cas: 93940-58-0
formula: C14H16O3S.Li
inchikey: HCXASCLMFSAQFD-UHFFFAOYSA-M
norman_susdat_id: NS00091826
smiles: [Li+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-]
inchi:
InChI=1/C14H16O3S.Li/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;+1/p-1


name: 4-[[(4-methoxyphenyl)methylhydrazono]methyl]-1-methylpyridinium chloride
cas: 93940-65-9
dtxsid: DTXSID00917003
formula: C15H18N3O
inchikey: RFJMBPVMHMWBRM-UHFFFAOYSA-N
norman_susdat_id: NS00065127
pubchem_cid: NA
smiles: [Cl-].N(=CC1=CC=[N+](C=C1)C)NCC2=CC=C(OC)C=C2
inchi:
InChI=1/C15H17N3O.ClH/c1-18-9-7-14(8-10-18)12-17-16-11-13-3-5-15(19-2)6-4-13;/h3-10,12H,11H2,1-2H3;1H


cas: 93940-66-0
formula: C18H18BrN5O7S
inchikey: LOEPWXQQUUFWMX-UHFFFAOYSA-N
norman_susdat_id: NS00092076
smiles: O=C2/C(=C(/C)\C(\N=Nc1cc(NC(=O)C(Br)=C)ccc1S(O)(=O)=O)=C(\O)N2CC)C(N)=O
name:
4-[(2-bromoacryloyl)amino]-2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]benzenesulphonic acid

inchi:
InChI=1/C18H18BrN5O7S/c1-4-24-17(27)13(15(20)25)8(2)14(18(24)28)23-22-11-7-10(21-16(26)9(3)19)5-6-12(11)32(29,30)31/h5-7,28H,3-4H2,1-2H3,(H2,20,25)(H,21,26)(H,29,30,31)


cas: 93940-67-1
formula: C21H18ClN7O11S3
inchikey: OOXOYSCSUOFMHL-UHFFFAOYSA-K
norman_susdat_id: NS00064296
pubchem_cid: 135755740
name:
Trisodium 4-[[4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(2-sulphonatophenyl)azo]naphthalene-1,7-disulphonate

inchi:
InChI=1/C21H18ClN7O11S3.3Na/c22-19-25-20(23-7-8-30)27-21(26-19)24-12-5-6-13(41(32,33)34)10-9-15(43(38,39)40)17(18(31)16(10)12)29-28-11-3-1-2-4-14(11)42(35,36)37;;;/h1-6,9,30-31H,7-8H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H2,23,24,25,26,27);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=CC1N=NC2=C(O)C=3C(=CC=C(C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)NCCO


name: 6a-fluoro-11ß,17-dihydroxy-16a-methyl-3,20-dioxopregna-1,4-dien-21-yl 5-oxo-L-prolinate
cas: 93940-69-3
dtxsid: DTXSID40917002
formula: C27H34FNO7
inchikey: PHWHOAAATDXTBP-KJFXVXGWSA-N
norman_susdat_id: NS00064317
pubchem_cid: 99602393
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C5NC(=O)CC5)C4(C)CC(O)C32)C
inchi:
InChI=1/C27H34FNO7/c1-13-8-16-15-10-18(28)17-9-14(30)6-7-25(17,2)23(15)20(31)11-26(16,3)27(13,35)21(32)12-36-24(34)19-4-5-22(33)29-19/h6-7,9,13,15-16,18-20,23,31,35H,4-5,8,10-12H2,1-3H3,(H,29,33)


cas: 93940-70-6
formula: C25H18ClN9O12S3.4Na
inchikey: UJYFKPYYLVPACP-UHFFFAOYSA-J
norman_susdat_id: NS00092512
name:
Tetrasodium 4-[[5-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C25H18ClN9O12S3.4Na/c26-23-29-24(27-12-1-6-15(7-2-12)48(39,40)41)31-25(30-23)28-13-3-10-18(50(45,46)47)17(11-13)32-33-19-20(22(37)38)34-35(21(19)36)14-4-8-16(9-5-14)49(42,43)44;;;;/h1-11,19H,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(cc5)S([O-])(=O)=O


cas: 93940-71-7
formula: C17H13ClN4O6S
inchikey: CHUNQEDEAHOMIC-UHFFFAOYSA-L
norman_susdat_id: NS00065128
pubchem_cid: 11971194
smiles: [Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC2C(=O)N(N=C2C)C3=CC(=CC=C3Cl)S(=O)(=O)[O-]
name:
Disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate

inchi:
InChI=1/C17H13ClN4O6S.2Na/c1-9-15(20-19-13-5-3-2-4-11(13)17(24)25)16(23)22(21-9)14-8-10(29(26,27)28)6-7-12(14)18;;/h2-8,15H,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2


cas: 93940-72-8
formula: C23H16ClN7O14S4
inchikey: XDGPWJHUSIIXQV-UHFFFAOYSA-J
norman_susdat_id: NS00063944
pubchem_cid: 161083
name:
Tetrasodium 3-[[8-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-4-hydroxynaphthalene-1,5-disulphonate

inchi:
InChI=1/C23H16ClN7O14S4.4Na/c24-21-27-22(25)29-23(28-21)26-11-6-9(46(34,35)36)4-8-5-15(49(43,44)45)18(20(33)16(8)11)31-30-12-7-14(48(40,41)42)10-2-1-3-13(47(37,38)39)17(10)19(12)32;;;;/h1-7,32-33H,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,25,26,27,28,29);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=2C=C(C(N=NC3=CC(=C4C=CC=C(C4=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])=C(O)C2C(=C1)NC=5N=C(Cl)N=C(N5)N)S(=O)(=O)[O-]


name: 5-oxo-L-proline, compound with 4-[(7-chloro-4-quinolyl)amino]-a-(diethylamino)-o-cresol (2:1)
cas: 93940-73-9
formula: C20H22ClN3O.2C5H7NO3
inchikey: QRZSUPISJKVWCJ-YHUPNWGDSA-N
norman_susdat_id: NS00091827
smiles: CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.OC(=O)[C@@H]4CCC(=O)N4.OC(=O)[C@@H]5CCC(=O)N5
inchi:
InChI=1/C20H22ClN3O.2C5H7NO3/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;2*7-4-2-1-3(6-4)5(8)9/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 2,3-dihydroxypropyl N-(7-chloro-4-quinolyl)anthranilate (1:1)
cas: 93940-74-0
formula: C19H17ClN2O4.C5H7NO3
inchikey: AKGMPKHOXWVKGB-HVDRVSQOSA-N
norman_susdat_id: NS00091828
smiles: OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23.OC(=O)[C@@H]4CCC(=O)N4
inchi:
InChI=1/C19H17ClN2O4.C5H7NO3/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23;7-4-2-1-3(6-4)5(8)9/h1-9,13,23-24H,10-11H2,(H,21,22);3H,1-2H2,(H,6,7)(H,8,9)


cas: 93940-75-1
formula: C18H34N2O6S.C5H7NO3
inchikey: WSTDLQJUQZEJMK-DJZDKFNVSA-N
norman_susdat_id: NS00092513
name:
5-oxo-L-proline, compound with methyl (2S-trans)-6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-D-erythro-a-D-galacto-octopyranoside (1:1)

inchi:
InChI=1/C18H34N2O6S.C5H7NO3/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;7-4-2-1-3(6-4)5(8)9/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);3H,1-2H2,(H,6,7)(H,8,9)

smiles:
CCCC1CC(N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O.OC(=O)[C@@H]3CCC(=O)N3


name: 5-oxo-L-proline, compound with 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol (1:1)
cas: 93940-76-2
formula: C11H17NO3.C5H7NO3
inchikey: ADBAJPRIULNAHL-HVDRVSQOSA-N
norman_susdat_id: NS00091829
smiles: CC(C)NCC(O)c1ccc(O)c(O)c1.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C11H17NO3.C5H7NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;7-4-2-1-3(6-4)5(8)9/h3-5,7,11-15H,6H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with (5a)-17-allyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one (1:1)
cas: 93940-79-5
formula: C19H21NO4.C5H7NO3
inchikey: DEAFEXLWTSVJEG-MLIUDLPHSA-N
norman_susdat_id: NS00092102
smiles: OC(=O)[C@@H]1CCC(=O)N1.Oc2ccc3C[C@H]4N(CC=C)CC[C@@]56[C@@H](Oc2c35)C(=O)CC[C@@]46O
inchi:
InChI=1/C19H21NO4.C5H7NO3/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;7-4-2-1-3(6-4)5(8)9/h2-4,14,17,21,23H,1,5-10H2;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (1:1)
cas: 93940-80-8
formula: C20H21NO4.C5H7NO3
inchikey: SCGVHSCPZIJMRO-HVDRVSQOSA-N
norman_susdat_id: NS00091914
smiles: COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OC(=O)[C@@H]4CCC(=O)N4
inchi:
InChI=1/C20H21NO4.C5H7NO3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;7-4-2-1-3(6-4)5(8)9/h5-8,10-12H,9H2,1-4H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with strychnidin-10-one (1:1)
cas: 93940-83-1
formula: C21H22N2O2.C5H7NO3
inchikey: LMIHAZCWYZZICQ-OMCXQELQSA-N
norman_susdat_id: NS00091915
smiles: OC(=O)[C@@H]1CCC(=O)N1.O=C2C[C@@H]3OCC=C4CN5CC[C@@]67[C@@H]5C[C@@H]4[C@@H]3[C@@H]6N2c8ccccc78
inchi:
InChI=1/C21H22N2O2.C5H7NO3/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;7-4-2-1-3(6-4)5(8)9/h1-5,13,16-17,19-20H,6-11H2;3H,1-2H2,(H,6,7)(H,8,9)


cas: 93940-87-5
formula: C12H17N4OS.C5H7NO3.Cl
inchikey: IXKSTYQVWKARBZ-RJXKWAGSSA-M
norman_susdat_id: NS00092103
smiles: [Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.OC(=O)[C@@H]3CCC(=O)N3
name:
5-oxo-L-proline, compound with 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride (1:1)

inchi:
InChI=1/C12H17N4OS.C5H7NO3.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;7-4-2-1-3(6-4)5(8)9;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);3H,1-2H2,(H,6,7)(H,8,9);1H/q+1;;/p-1


cas: 93940-88-6
formula: C19H25NO2.C5H7NO3
inchikey: HYUYCADVBROMHK-HVDRVSQOSA-N
norman_susdat_id: NS00092104
smiles: CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2.OC(=O)[C@@H]3CCC(=O)N3
name:
5-oxo-L-proline, compound with 4-hydroxy-a-[1-[(1-methyl-3-phenylpropyl)amino]ethyl]benzyl alcohol (1:1)

inchi:
InChI=1/C19H25NO2.C5H7NO3/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;7-4-2-1-3(6-4)5(8)9/h3-7,10-15,19-22H,8-9H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 2,3-Bis(((2-((2-aminoethyl)amino)ethyl)amino)methyl)phenol
cas: 93940-98-8
chemspiderid: 2289327
dtxsid: DTXSID00239914
formula: C16H32N6O1
inchikey: XYCHOUSTRNPKQN-UHFFFAOYSA-N
norman_susdat_id: NS00039776
pubchem_cid: 3022993
smiles: NCCNCCNCc1cccc(O)c1CNCCNCCN
inchi:
InChI=1S/C16H32N6O/c17-4-6-19-8-10-21-12-14-2-1-3-16(23)15(14)13-22-11-9-20-7-5-18/h1-3,19-23H,4-13,17-18H2


name: 2,4,6-Tris(((2-((2-aminoethyl)amino)ethyl)amino)methyl)phenol
cas: 93940-99-9
chemspiderid: 2289328
dtxsid: DTXSID60239915
formula: C21H45N9O1
inchikey: UFHKHWHPROUYJH-UHFFFAOYSA-N
norman_susdat_id: NS00039777
pubchem_cid: 3022994
smiles: NCCNCCNCc1cc(CNCCNCCN)c(O)c(CNCCNCCN)c1
inchi:
InChI=1S/C21H45N9O/c22-1-4-25-7-10-28-15-18-13-19(16-29-11-8-26-5-2-23)21(31)20(14-18)17-30-12-9-27-6-3-24/h13-14,25-31H,1-12,15-17,22-24H2


cas: 939402-02-5
norman_susdat_id: NS00112880
name:
phosphorous acid, mixed 2,4-​bis(1,1-​dimethylpropyl)phenyl and 4-​(1,1-​dimethylpropyl)phenyl triesters


name: Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate
cas: 93941-03-8
chemspiderid: 89188
dtxsid: DTXSID80239917
formula: C16H16Br1N1O4
inchikey: XFWAGGLINZUVII-UHFFFAOYSA-N
norman_susdat_id: NS00039778
pubchem_cid: 98748
smiles: CCOC(=O)C(=Cc1c[nH]c2ccc(Br)cc12)C(=O)OCC
inchi:
InChI=1S/C16H16BrNO4/c1-3-21-15(19)13(16(20)22-4-2)7-10-9-18-14-6-5-11(17)8-12(10)14/h5-9,18H,3-4H2,1-2H3


cas: 93941-04-9
formula: C26H20ClN7O10S3
inchikey: RGYRTBCWFPJLQZ-UHFFFAOYSA-N
norman_susdat_id: NS00092118
smiles: Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc4ccccc4C)n5
name:
5-[[4-chloro-6-[(o-tolyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C26H20ClN7O10S3/c1-13-6-2-3-7-16(13)28-25-30-24(27)31-26(32-25)29-18-12-15(45(36,37)38)10-14-11-20(47(42,43)44)22(23(35)21(14)18)34-33-17-8-4-5-9-19(17)46(39,40)41/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32)


cas: 93941-05-0
formula: C26H20ClN7O10S3
inchikey: SOCUBVOLHILNRE-UHFFFAOYSA-K
norman_susdat_id: NS00063987
pubchem_cid: 135755742
name:
Trisodium 5-[[4-chloro-6-[(o-tolyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C26H20ClN7O10S3.3Na/c1-13-6-2-3-7-16(13)28-25-30-24(27)31-26(32-25)29-18-12-15(45(36,37)38)10-14-11-20(47(42,43)44)22(23(35)21(14)18)34-33-17-8-4-5-9-19(17)46(39,40)41;;;/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C(O)=C2C(=C1)NC=4N=C(Cl)N=C(N4)NC=5C=CC=CC5C)S(=O)(=O)[O-]


name: 3-methyl-2-[[p-(N-methylanilino)phenyl]azo]thiazolium hydroxide
cas: 93941-09-4
formula: C17H17N4S.HO
inchikey: CGJMVBGVBISQCG-UHFFFAOYSA-M
norman_susdat_id: NS00092536
smiles: [OH-].CN(c1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C
inchi:
InChI=1/C17H17N4S.H2O/c1-20-12-13-22-17(20)19-18-14-8-10-16(11-9-14)21(2)15-6-4-3-5-7-15;/h3-13H,1-2H3;1H2/q+1;/p-1


name: 5-(benzoylamino)-3-[[3-[4-(tert-butyl)phenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid
cas: 93941-60-7
formula: C33H29N3O9S2
inchikey: RWDAFZOLLQQDPI-UHFFFAOYSA-N
norman_susdat_id: NS00092119
smiles: OS(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4cccc(Oc3ccc(cc3)C(C)(C)C)c4)S(O)(=O)=O
inchi:
InChI=1/C33H29N3O9S2/c1-33(2,3)22-12-14-24(15-13-22)45-25-11-7-10-23(18-25)35-36-30-28(47(42,43)44)17-21-16-26(46(39,40)41)19-27(29(21)31(30)37)34-32(38)20-8-5-4-6-9-20/h4-19,37H,1-3H3,(H,34,38)(H,39,40,41)(H,42,43,44)


cas: 93941-61-8
dtxsid: DTXSID90916984
formula: C37H32ClN8O10S3
inchikey: QRZXUILWZOPQST-UHFFFAOYSA-L
norman_susdat_id: NS00063988
pubchem_cid: NA
name:
Dihydrogen 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]amino]-7-[ethyl[(3-sulphonatophenyl)methyl]amino]-5-(sulphonatophenyl)phenazinium

inchi:
InChI=1/C37H31ClN8O10S3/c1-3-45(21-22-7-6-8-26(17-22)57(47,48)49)25-13-16-28-32(20-25)46(30-9-4-5-10-33(30)58(50,51)52)31-18-23(11-14-27(31)41-28)39-29-15-12-24(19-34(29)59(53,54)55)40-36-42-35(38)43-37(44-36)56-2/h4-20H,3,21H2,1-2H3,(H4,40,41,42,43,44,47,48,49,50,51,52,53,54,55)/p-2

smiles:
O=S(=O)([O-])C=1C=CC=C(C1)CN(C=2C=CC3=NC=4C=CC(=CC4[N+](C=5C=CC=CC5S(=O)(=O)[O-])=C3C2)NC6=CC=C(C=C6S(=O)(=O)[O-])NC=7N=C(Cl)N=C(N7)OC)CC


name: 1,2-phenylene dihexanoate
cas: 93941-77-6
dtxsid: DTXSID00916975
formula: C18H26O4
inchikey: ROYLHNCAKTYWLD-UHFFFAOYSA-N
norman_susdat_id: NS00064422
pubchem_cid: 22159651
smiles: O=C(OC=1C=CC=CC1OC(=O)CCCCC)CCCCC
inchi:
InChI=1/C18H26O4/c1-3-5-7-13-17(19)21-15-11-9-10-12-16(15)22-18(20)14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3


name: Diethylammonium 2-(2,4-dichlorophenoxy)propionate
cas: 93941-78-7
formula: C9H8Cl2O3.C4H11N
inchikey: NLGJPPMUXJBNTJ-UHFFFAOYSA-N
norman_susdat_id: NS00092156
smiles: CC[NH2+]CC.CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-]
inchi:
InChI=1/C9H8Cl2O3.C4H11N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;1-3-5-4-2/h2-5H,1H3,(H,12,13);5H,3-4H2,1-2H3


cas: 93941-80-1
formula: C27H24Cl2N14O12S3
inchikey: NGXJTOMGAJYYDH-UHFFFAOYSA-N
norman_susdat_id: NS00092157
name:
1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-

inchi:
InChI=1/C27H24Cl2N14O12S3/c1-3-43-20(45)17(19(30)44)9(2)18(21(43)46)42-41-13-7-12(15(57(50,51)52)8-16(13)58(53,54)55)34-27-38-23(29)37-25(40-27)32-10-4-5-14(56(47,48)49)11(6-10)33-26-36-22(28)35-24(31)39-26/h4-8,46H,3H2,1-2H3,(H2,30,44)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,31,33,35,36,39)(H2,32,34,37,38,40)

smiles:
O=C5/C(=C(/C)\C(\N=Nc4cc(Nc3nc(Nc2ccc(c(Nc1nc(N)nc(Cl)n1)c2)S(O)(=O)=O)nc(Cl)n3)c(cc4S(O)(=O)=O)S(O)(=O)=O)=C(\O)N5CC)C(N)=O


name: 3-(diethylamino)-7-(dimethylamino)phenothiazin-5-ium tetrachlorozincate (2:1)
cas: 93941-83-4
dtxsid: DTXSID60916971
formula: C18H22N3S
inchikey: INWWGXXJPABWPV-UHFFFAOYSA-J
norman_susdat_id: NS00065245
pubchem_cid: 2753312
inchi:
InChI=1/2C18H22N3S.4ClH.Zn/c2*1-5-21(6-2)14-8-10-16-18(12-14)22-17-11-13(20(3)4)7-9-15(17)19-16;;;;;/h2*7-12H,5-6H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H22N3S.Cl4Zn/c2*1-5-21(6-2)14-8-10-16-18(12-14)22-17-11-13(20(3)4)7-9-15(17)19-16;1-5(2,3)4/h2*7-12H,5-6H2,1-4H3;/q2*+1;-2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.N=1C2=CC=C(C=C2[S+]=C3C=C(C=CC13)N(CC)CC)N(C)C.N=1C2=CC=C(C=C2[S+]=C3C=C(C=CC13)N(CC)CC)N(C)C


name: Trimethyl[1-methyl-2-[(1-oxoallyl)oxy]ethyl]ammonium methyl sulphate
cas: 93941-88-9
dtxsid: DTXSID30916968
formula: C9H18NO2
inchikey: MXUSWWKXIPNEQJ-UHFFFAOYSA-M
norman_susdat_id: NS00065246
pubchem_cid: 3038546
smiles: O=C(OCC(C)[N+](C)(C)C)C=C.O=S(=O)([O-])OC
inchi:
InChI=1/C9H18NO2.CH4O4S/c1-6-9(11)12-7-8(2)10(3,4)5;1-5-6(2,3)4/h6,8H,1,7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: Trimethyl-2-[(oxoallyl)oxy]propylammonium methyl sulphate
cas: 93941-90-3
dtxsid: DTXSID70916967
formula: C9H18NO2
inchikey: SOZZSNIDKONVAY-UHFFFAOYSA-M
norman_susdat_id: NS00064035
pubchem_cid: 3038544
smiles: O=C(OC(C)C[N+](C)(C)C)C=C.O=S(=O)([O-])OC
inchi:
InChI=1/C9H18NO2.CH4O4S/c1-6-9(11)12-8(2)7-10(3,4)5;1-5-6(2,3)4/h6,8H,1,7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: [2-(acryloyloxy)-1-methylethyl]benzyldimethylammonium chloride
cas: 93941-91-4
dtxsid: DTXSID10916966
formula: C15H22NO2
inchikey: DWNMRHBGZATFST-UHFFFAOYSA-M
norman_susdat_id: NS00064036
pubchem_cid: 21149760
smiles: [Cl-].O=C(OCC(C)[N+](C)(C)CC=1C=CC=CC1)C=C
inchi:
InChI=1/C15H22NO2.ClH/c1-5-15(17)18-12-13(2)16(3,4)11-14-9-7-6-8-10-14;/h5-10,13H,1,11-12H2,2-4H3;1H/q+1;/p-1


name: Benzyldimethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride
cas: 93941-92-5
dtxsid: DTXSID50916965
formula: C15H22NO2
inchikey: PAASWQUUUXLYAI-UHFFFAOYSA-M
norman_susdat_id: NS00063924
pubchem_cid: 3023005
smiles: [Cl-].O=C(OC(C)C[N+](C)(C)CC=1C=CC=CC1)C=C
inchi:
InChI=1/C15H22NO2.ClH/c1-5-15(17)18-13(2)11-16(3,4)12-14-9-7-6-8-10-14;/h5-10,13H,1,11-12H2,2-4H3;1H/q+1;/p-1


name: Sodium 1-hydroxytetradecane-1-sulphonate
cas: 93941-93-6
dtxsid: DTXSID90916964
formula: C14H30O4S
inchikey: WNIGKYDKDYKVIH-UHFFFAOYSA-M
norman_susdat_id: NS00064434
pubchem_cid: 3023008
smiles: [Na+].O=S(=O)([O-])C(O)CCCCCCCCCCCCC
inchi:
InChI=1/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)19(16,17)18;/h14-15H,2-13H2,1H3,(H,16,17,18);/q;+1/p-1


name: (Z)-2-hydroxy-3-sulphonatopropyldimethyl[3-[(1-oxo-9-octadecenyl)amino]propyl]ammonium
cas: 93941-94-7
formula: C26H53N2O5S
inchikey: CNIGBCBFYDWQHS-QXMHVHEDSA-N
norman_susdat_id: NS00064435
pubchem_cid: 44152211
smiles: O=C(NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-])CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H52N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34(31,32)33/h11-12,25,29H,4-10,13-24H2,1-3H3,(H-,27,30,31,32,33)


name: 5,8-Diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulphonic acid
cas: 93941-99-2
chemspiderid: 2289339
dtxsid: DTXSID10239920
formula: C30H26N2O9S1
inchikey: YUTSNTYEOVRNGJ-UHFFFAOYSA-N
norman_susdat_id: NS00039779
pubchem_cid: 3023009
smiles: Nc1c2C(=O)c3cccc(c3C(=O)c2c(N)c(OCCOc2ccccc2)c1OCCOc1ccccc1)S(=O)(=O)O
inchi:
InChI=1S/C30H26N2O9S/c31-25-23-24(28(34)22-20(27(23)33)12-7-13-21(22)42(35,36)37)26(32)30(41-17-15-39-19-10-5-2-6-11-19)29(25)40-16-14-38-18-8-3-1-4-9-18/h1-13H,14-17,31-32H2,(H,35,36,37)


name: N-[2-[(2-aminoethyl)amino]ethyl]octadeca-9,12-dienamide monoacetate
cas: 93942-03-1
formula: C22H43N3O.C2H4O2
inchikey: CJOWOZVNNOQBIN-UHFFFAOYSA-N
norman_susdat_id: NS00091876
smiles: O=C(NCCNCCN)CCCCCCCC=CCC=CCCCCC.CC(O)=O
inchi:
InChI=1/C22H43N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;1-2(3)4/h6-7,9-10,24H,2-5,8,11-21,23H2,1H3,(H,25,26);1H3,(H,3,4)


name: N-[2-[(2-aminoethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate
cas: 93942-04-2
formula: C22H41N3O.C2H4O2
inchikey: FPHSMIOCVMTZLU-UHFFFAOYSA-N
norman_susdat_id: NS00092158
smiles: O=C(NCCNCCN)CCCCCCCC=CCC=CCC=CCC.CC(O)=O
inchi:
InChI=1/C22H41N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;1-2(3)4/h3-4,6-7,9-10,24H,2,5,8,11-21,23H2,1H3,(H,25,26);1H3,(H,3,4)


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]dodecanamide monoacetate
cas: 93942-05-3
formula: C18H40N4O.C2H4O2
inchikey: BDAXPZBSGOKZFC-UHFFFAOYSA-N
norman_susdat_id: NS00091877
smiles: CCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C18H40N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-18(23)22-17-16-21-15-14-20-13-12-19;1-2(3)4/h20-21H,2-17,19H2,1H3,(H,22,23);1H3,(H,3,4)


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]myristamide monoacetate
cas: 93942-06-4
formula: C20H44N4O.C2H4O2
inchikey: WLQQXEVZSFTGQN-UHFFFAOYSA-N
norman_susdat_id: NS00091878
smiles: CCCCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C20H44N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)24-19-18-23-17-16-22-15-14-21;1-2(3)4/h22-23H,2-19,21H2,1H3,(H,24,25);1H3,(H,3,4)


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]palmitamide monoacetate
cas: 93942-07-5
formula: C22H48N4O.C2H4O2
inchikey: CGYQTAARNFFLST-UHFFFAOYSA-N
norman_susdat_id: NS00092569
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C22H48N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27)26-21-20-25-19-18-24-17-16-23;1-2(3)4/h24-25H,2-21,23H2,1H3,(H,26,27);1H3,(H,3,4)


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]stearamide monoacetate
cas: 93942-08-6
formula: C24H52N4O.C2H4O2
inchikey: ZPHYJDBFRAZJAL-UHFFFAOYSA-N
norman_susdat_id: NS00091887
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C24H52N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25;1-2(3)4/h26-27H,2-23,25H2,1H3,(H,28,29);1H3,(H,3,4)


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]octadec-9-enamide monoacetate
cas: 93942-09-7
formula: C24H50N4O
inchikey: RZWXGISNLORIRK-UHFFFAOYSA-N
norman_susdat_id: NS00064338
pubchem_cid: 57356313
smiles: O=C(O)C.O=C(NCCNCCNCCN)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H50N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25;1-2(3)4/h9-10,26-27H,2-8,11-23,25H2,1H3,(H,28,29);1H3,(H,3,4)


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]octadeca-9,12-dien-1-amide
cas: 93942-10-0
formula: C24H48N4O
inchikey: ZOHQBCHYQPFLNG-UHFFFAOYSA-N
norman_susdat_id: NS00092798
smiles: CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCN
inchi:
InChI=1/C24H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h6-7,9-10,26-27H,2-5,8,11-23,25H2,1H3,(H,28,29)


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]octadeca-9,12-dienamide monoacetate
cas: 93942-11-1
formula: C24H48N4O
inchikey: LUEUPNTVGDTBLL-UHFFFAOYSA-N
norman_susdat_id: NS00064880
pubchem_cid: 57356314
smiles: O=C(O)C.O=C(NCCNCCNCCN)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C24H48N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25;1-2(3)4/h6-7,9-10,26-27H,2-5,8,11-23,25H2,1H3,(H,28,29);1H3,(H,3,4)


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]-9,12,15-octadecatrienamide
cas: 93942-12-2
formula: C24H46N4O
inchikey: CYFSEFXOZKXQFQ-UHFFFAOYSA-N
norman_susdat_id: NS00064425
pubchem_cid: 3023012
smiles: O=C(NCCNCCNCCN)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C24H46N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h3-4,6-7,9-10,26-27H,2,5,8,11-23,25H2,1H3,(H,28,29)


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]octadeca-9,12,15-trienamide monoacetate
cas: 93942-13-3
formula: C24H46N4O.C2H4O2
inchikey: SYYXLNZDADKOHJ-UHFFFAOYSA-N
norman_susdat_id: NS00092151
smiles: O=C(NCCNCCNCCN)CCCCCCCC=CCC=CCC=CCC.CC(O)=O
inchi:
InChI=1/C24H46N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25;1-2(3)4/h3-4,6-7,9-10,26-27H,2,5,8,11-23,25H2,1H3,(H,28,29);1H3,(H,3,4)


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]dodecanamide monoacetate
cas: 93942-14-4
formula: C20H45N5O.C2H4O2
inchikey: POLJLYFKMUKDMF-UHFFFAOYSA-N
norman_susdat_id: NS00092799
smiles: CCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C20H45N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-20(26)25-19-18-24-17-16-23-15-14-22-13-12-21;1-2(3)4/h22-24H,2-19,21H2,1H3,(H,25,26);1H3,(H,3,4)


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]myristamide monoacetate
cas: 93942-15-5
formula: C22H49N5O.C2H4O2
inchikey: LGGSDXXOAIEAKX-UHFFFAOYSA-N
norman_susdat_id: NS00092152
smiles: CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C22H49N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(28)27-21-20-26-19-18-25-17-16-24-15-14-23;1-2(3)4/h24-26H,2-21,23H2,1H3,(H,27,28);1H3,(H,3,4)


name: N-(2-((2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)amino)ethyl)hexadecan-1-amide
cas: 93942-16-6
chemspiderid: 2289341
dtxsid: DTXSID70239921
formula: C24H53N5O1
inchikey: PEOXEUKZSKKSAI-UHFFFAOYSA-N
norman_susdat_id: NS00039780
pubchem_cid: 3023013
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN
inchi:
InChI=1S/C24H53N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)29-23-22-28-21-20-27-19-18-26-17-16-25/h26-28H,2-23,25H2,1H3,(H,29,30)


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]palmitamide monoacetate
cas: 93942-17-7
formula: C24H53N5O.C2H4O2
inchikey: BKZLIPQXFKZADJ-UHFFFAOYSA-N
norman_susdat_id: NS00092410
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C24H53N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)29-23-22-28-21-20-27-19-18-26-17-16-25;1-2(3)4/h26-28H,2-23,25H2,1H3,(H,29,30);1H3,(H,3,4)


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octadec-9-enamide monoacetate
cas: 93942-19-9
formula: C26H55N5O
inchikey: YSHRZHNEHCVVTQ-UHFFFAOYSA-N
norman_susdat_id: NS00064881
pubchem_cid: 57356316
smiles: O=C(O)C.O=C(NCCNCCNCCNCCN)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H55N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h9-10,28-30H,2-8,11-25,27H2,1H3,(H,31,32);1H3,(H,3,4)


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octadeca-9,12-dien-1-amide
cas: 93942-20-2
formula: C26H53N5O
inchikey: IGTHUKCHFWQYHW-UHFFFAOYSA-N
norman_susdat_id: NS00064339
pubchem_cid: 3023014
smiles: O=C(NCCNCCNCCNCCN)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C26H53N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27/h6-7,9-10,28-30H,2-5,8,11-25,27H2,1H3,(H,31,32)


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octadeca-9,12-dienamide monoacetate
cas: 93942-21-3
formula: C26H53N5O.C2H4O2
inchikey: DBNNDOXHYSECRA-UHFFFAOYSA-N
norman_susdat_id: NS00092166
smiles: O=C(NCCNCCNCCNCCN)CCCCCCCC=CCC=CCCCCC.CC(O)=O
inchi:
InChI=1/C26H53N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h6-7,9-10,28-30H,2-5,8,11-25,27H2,1H3,(H,31,32);1H3,(H,3,4)


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-9,12,15-octadecatrienamide
cas: 93942-22-4
formula: C26H51N5O
inchikey: NGEWKRJKIDUTQY-UHFFFAOYSA-N
norman_susdat_id: NS00092808
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCN
inchi:
InChI=1/C26H51N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27/h3-4,6-7,9-10,28-30H,2,5,8,11-25,27H2,1H3,(H,31,32)


cas: 93942-23-5
formula: C26H51N5O
inchikey: OKNRSUMEYTVJRE-UHFFFAOYSA-N
norman_susdat_id: NS00064442
pubchem_cid: 57356318
smiles: O=C(O)C.O=C(NCCNCCNCCNCCN)CCCCCCCC=CCC=CCC=CCC
name:
N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octadeca-9,12,15-trienamide monoacetate

inchi:
InChI=1/C26H51N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h3-4,6-7,9-10,28-30H,2,5,8,11-25,27H2,1H3,(H,31,32);1H3,(H,3,4)


name: 3-[[4-[(6,7-dichlorobenzothiazol-2-yl)azo]phenyl](3-phenylpropyl)amino]propiononitrile
cas: 93942-24-6
formula: C25H21Cl2N5S
inchikey: PSXCLXSGZXHCKH-UHFFFAOYSA-N
norman_susdat_id: NS00065636
pubchem_cid: 3023016
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=CC(Cl)=C(Cl)C3S2)C=C1)CCCC=4C=CC=CC4
inchi:
InChI=1/C25H21Cl2N5S/c26-21-13-14-22-24(23(21)27)33-25(29-22)31-30-19-9-11-20(12-10-19)32(17-5-15-28)16-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14H,4-5,8,16-17H2


name: Azelaic acid, compound with morpholine
cas: 93942-25-7
formula: C9H16O4.xC4H9NO
inchikey: ZMWOZPXALDXLFM-UHFFFAOYSA-N
norman_susdat_id: NS00092809
smiles: OC(=O)CCCCCCCC(=O)O.C1COCCN1
inchi:
InChI=1/C9H16O4.C4H9NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-3-6-4-2-5-1/h1-7H2,(H,10,11)(H,12,13);5H,1-4H2


name: Azelaic acid, compound with 2-amino-2-methylpropan-1-ol
cas: 93942-26-8
formula: C9H16O4.xC4H11NO
inchikey: SHMMNXHKBKKONC-UHFFFAOYSA-N
norman_susdat_id: NS00092810
smiles: CC(C)(N)CO.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.C4H11NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-4(2,5)3-6/h1-7H2,(H,10,11)(H,12,13);6H,3,5H2,1-2H3


name: Azelaic acid, compound with 2-aminobutan-1-ol
cas: 93942-27-9
formula: C9H16O4.xC4H11NO
inchikey: PBCKWJLVNREVRQ-UHFFFAOYSA-N
norman_susdat_id: NS00092811
smiles: CCC(N)CO.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.C4H11NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-2-4(5)3-6/h1-7H2,(H,10,11)(H,12,13);4,6H,2-3,5H2,1H3


name: Undecanoic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 93942-28-0
formula: C11H22O2.C4H11NO2
inchikey: UHDTYIMIPQQZGS-UHFFFAOYSA-N
norman_susdat_id: NS00092167
smiles: CCCCCCCCCCC(=O)O.OCCNCCO
inchi:
InChI=1/C11H22O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11(12)13;6-3-1-5-2-4-7/h2-10H2,1H3,(H,12,13);5-7H,1-4H2


name: Cinnamic acid, compound with piperazine-1,4-diethanol (1:1)
cas: 93942-30-4
formula: C9H8O2.C8H18N2O2
inchikey: DLHIXDDEHOSZTF-UHDJGPCESA-N
norman_susdat_id: NS00092812
smiles: OCCN1CCN(CCO)CC1.OC(=O)\C=C\c2ccccc2
inchi:
InChI=1/C9H8O2.C8H18N2O2/c10-9(11)7-6-8-4-2-1-3-5-8;11-7-5-9-1-2-10(4-3-9)6-8-12/h1-7H,(H,10,11);11-12H,1-8H2


name: Dimethyl(2-phenoxyethyl)(2-thienylmethyl)ammonium chloride
cas: 93942-37-1
formula: C15H20NOS.Cl
inchikey: CGSVCNBINHWWFW-UHFFFAOYSA-M
norman_susdat_id: NS00092832
smiles: [Cl-].C[N+](C)(CCOc1ccccc1)Cc2cccs2
inchi:
InChI=1/C15H20NOS.ClH/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;/h3-9,12H,10-11,13H2,1-2H3;1H/q+1;/p-1


name: Triphenyl[2-(pyrrolidin-2-yl)ethyl]phosphonium bromide
cas: 93942-38-2
dtxsid: DTXSID10916946
formula: C24H27NP
inchikey: GVSWDRBHXIUTAG-UHFFFAOYSA-M
norman_susdat_id: NS00064910
pubchem_cid: 3023021
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCC4NCCC4
inchi:
InChI=1/C24H27NP.BrH/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-18-21-11-10-19-25-21;/h1-9,12-17,21,25H,10-11,18-20H2;1H/q+1;/p-1


name: Ethyl a-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate
cas: 93942-39-3
formula: C23H24Cl2N2O4
inchikey: VRICXOXBGFEEOE-UHFFFAOYSA-N
norman_susdat_id: NS00092191
smiles: CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)N2C(=O)c3ccccc3C2=O
inchi:
InChI=1/C23H24Cl2N2O4/c1-2-31-23(30)20(27-21(28)18-5-3-4-6-19(18)22(27)29)15-16-7-9-17(10-8-16)26(13-11-24)14-12-25/h3-10,20H,2,11-15H2,1H3


name: Trisodium 3-hydroxy-4-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
cas: 93942-40-6
formula: C16H12N2O10S3
inchikey: SWMCKJIABYCPRD-UHFFFAOYSA-K
norman_susdat_id: NS00064369
pubchem_cid: NA
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(O)C2N=NC=3C=CC=CC3S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C16H12N2O10S3.3Na/c19-16-14(31(26,27)28)8-9-7-10(29(20,21)22)5-6-11(9)15(16)18-17-12-3-1-2-4-13(12)30(23,24)25;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3


name: Bis(tert-butyl) 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
cas: 93942-44-0
chemspiderid: 2289350
dtxsid: DTXSID10239925
formula: C21H35N1O4
inchikey: GFCVFEWESRMWMF-UHFFFAOYSA-N
norman_susdat_id: NS00039783
pubchem_cid: 3023025
smiles: CCCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C
inchi:
InChI=1S/C21H35NO4/c1-10-11-12-15-16(18(23)25-20(4,5)6)13(2)22-14(3)17(15)19(24)26-21(7,8)9/h15,22H,10-12H2,1-9H3


name: 1,3,5-tri(2-ethylhexyl)hexahydro-1,3,5-triazine
cas: 93942-45-1
dtxsid: DTXSID90916944
formula: C27H57N3
inchikey: IOOQZUUFSICDQX-UHFFFAOYSA-N
norman_susdat_id: NS00064911
pubchem_cid: 11467348
smiles: N1(CN(CN(C1)CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/C27H57N3/c1-7-13-16-25(10-4)19-28-22-29(20-26(11-5)17-14-8-2)24-30(23-28)21-27(12-6)18-15-9-3/h25-27H,7-24H2,1-6H3


name: ß-methyl-a,a-diphenylpiperidine-1-butyronitrile monohydrochloride
cas: 93942-53-1
formula: C22H26N2.ClH
inchikey: APXMUEMRZCMOJH-UHFFFAOYSA-N
norman_susdat_id: NS00092848
smiles: Cl.CC(CN1CCCCC1)C(C#N)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C22H26N2.ClH/c1-19(17-24-15-9-4-10-16-24)22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21;/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3;1H


name: ß-methyl-a,a-diphenylpiperidine-1-butyronitrile monohydrobromide
cas: 93942-54-2
formula: C22H26N2.BrH
inchikey: WLAKYNHCKSBYML-UHFFFAOYSA-N
norman_susdat_id: NS00092416
smiles: Br.CC(CN1CCCCC1)C(C#N)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C22H26N2.BrH/c1-19(17-24-15-9-4-10-16-24)22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21;/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3;1H


name: <U+03B3>-methyl-a,a-diphenylpiperidine-1-butyronitrile monohydrochloride
cas: 93942-55-3
formula: C22H26N2.ClH
inchikey: LWRAGUAXVRBIRB-UHFFFAOYSA-N
norman_susdat_id: NS00092200
smiles: Cl.CC(CC(C#N)(c1ccccc1)c2ccccc2)N3CCCCC3
inchi:
InChI=1/C22H26N2.ClH/c1-19(24-15-9-4-10-16-24)17-22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21;/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3;1H


name: Diethyl 2-(3-amino-1-cyclohexyl-1-hydroxypropyl)nonanedioate
cas: 93942-58-6
dtxsid: DTXSID20916937
formula: C22H41NO5
inchikey: CDYSXCIYAMJFMJ-UHFFFAOYSA-N
norman_susdat_id: NS00065691
pubchem_cid: 3023030
smiles: O=C(OCC)CCCCCCC(C(=O)OCC)C(O)(CCN)C1CCCCC1
inchi:
InChI=1/C22H41NO5/c1-3-27-20(24)15-11-6-5-10-14-19(21(25)28-4-2)22(26,16-17-23)18-12-8-7-9-13-18/h18-19,26H,3-17,23H2,1-2H3


name: Diethyl 2-(3-amino-1-cyclohexyl-1-hydroxypropyl)nonanedioate hydrochloride
cas: 93942-59-7
formula: C22H41NO5.ClH
inchikey: JDIVGTFXSZSPOA-UHFFFAOYSA-N
norman_susdat_id: NS00092849
smiles: Cl.CCOC(=O)CCCCCCC(C(=O)OCC)C(O)(CCN)C1CCCCC1
inchi:
InChI=1/C22H41NO5.ClH/c1-3-27-20(24)15-11-6-5-10-14-19(21(25)28-4-2)22(26,16-17-23)18-12-8-7-9-13-18;/h18-19,26H,3-17,23H2,1-2H3;1H


cas: 93942-62-2
chemspiderid: 21166227
dtxsid: DTXSID70239926
formula: C60H40Cl2N14O22S6
inchikey: ZDLUARUVMTVLSU-MDZDMXLPSA-N
norman_susdat_id: NS00021397
pubchem_cid: 102267626
name:
4,4'-(Ethylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(4-sulpho-3,1-phenylene)imino))bis(1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic) acid

inchi:
InChI=1S/C60H40Cl2N14O22S6/c61-55-71-57(75-59(73-55)69-35-19-27(15-17-39(35)99(81,82)83)65-37-23-43(103(93,94)95)49(63)47-45(37)51(77)31-5-1-3-7-33(31)53(47)79)67-29-13-11-25(41(21-29)101(87,88)89)9-10-26-12-14-30(22-42(26)102(90,91)92)68-58-72-56(62)74-60(76-58)70-36-20-28(16-18-40(36)100(84,85)86)66-38-24-44(104(96,97)98)50(64)48-46(38)52(78)32-6-2-4-8-34(32)54(48)80/h1-24,65-66H,63-64H2,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,67,69,71,73,75)(H2,68,70,72,74,76)/b10-9+

smiles:
NC1=C(C=C(NC2=CC(NC3=NC(Cl)=NC(NC4=CC(=C(C=CC5=C(C=C(NC6=NC(NC7=C(C=CC(NC8=CC(=C(N)C9=C8C(=O)C8=CC=CC=C8C9=O)S(O)(=O)=O)=C7)S(O)(=O)=O)=NC(Cl)=N6)C=C5)S(O)(=O)=O)C=C4)S(O)(=O)=O)=N3)=C(C=C2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O


cas: 93942-63-3
chemspiderid: 57469528
dtxsid: DTXSID30239927
formula: C62H44Cl2N14O26S8
inchikey: IUYVQTSRRZICKL-FWZIHMHMSA-N
norman_susdat_id: NS00021398
pubchem_cid: NA
name:
2,2'-(Vinylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)(methylimino)(1-hydroxy-3-sulphonaphthalene-6,2-diyl)azo))bis(naphthalene-1,5-disulphonic) acid

inchi:
InChI=1S/C62H44Cl2N14O26S8/c1-77(35-15-17-37-31(23-35)25-49(109(93,94)95)51(53(37)79)75-73-43-21-19-39-41(55(43)111(99,100)101)5-3-7-45(39)105(81,82)83)61-69-57(63)67-59(71-61)65-33-13-11-29(47(27-33)107(87,88)89)9-10-30-12-14-34(28-48(30)108(90,91)92)66-60-68-58(64)70-62(72-60)78(2)36-16-18-38-32(24-36)26-50(110(96,97)98)52(54(38)80)76-74-44-22-20-40-42(56(44)112(102,103)104)6-4-8-46(40)106(84,85)86/h3-28,79-80H,1-2H3,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,65,67,69,71)(H,66,68,70,72)/b10-9+,75-73+,76-74?

smiles:
CN(C1=CC2=CC(=C(N=NC3=C(C4=C(C=C3)C(=CC=C4)S(O)(=O)=O)S(O)(=O)=O)C(O)=C2C=C1)S(O)(=O)=O)C1=NC(Cl)=NC(NC2=CC(=C(C=CC3=C(C=C(NC4=NC(=NC(Cl)=N4)N(C)C4=CC5=CC(=C(N=NC6=C(C7=C(C=C6)C(=CC=C7)S(O)(=O)=O)S(O)(=O)=O)C(O)=C5C=C4)S(O)(=O)=O)C=C3)S(O)(=O)=O)C=C


cas: 93942-64-4
formula: C29H20ClN7O10S3
inchikey: RTMINIWFYHCJQI-UHFFFAOYSA-N
norman_susdat_id: NS00064912
pubchem_cid: NA
name:
2-[[6-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1-sulphonic acid

inchi:
InChI=1/C29H20ClN7O10S3/c30-27-33-28(31-17-5-3-6-19(14-17)48(39,40)41)35-29(34-27)32-18-9-10-20-16(12-18)13-23(49(42,43)44)24(25(20)38)37-36-22-11-8-15-4-1-2-7-21(15)26(22)50(45,46)47/h1-14,38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,31,32,33,34,35)

smiles:
O=S(=O)(O)C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC=3C=CC4=C(O)C(N=NC=5C=CC=6C=CC=CC6C5S(=O)(=O)O)=C(C=C4C3)S(=O)(=O)O


cas: 93942-65-5
formula: C34H24Cl2N12O16S5
inchikey: YEKQENVJJJUIDH-UHFFFAOYSA-N
norman_susdat_id: NS00092850
name:
5-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C34H24Cl2N12O16S5/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-24(68(59,60)61)21(13-17)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-20-6-1-2-7-23(20)67(56,57)58/h1-14,49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46)

smiles:
Clc7nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc6cc(Nc5nc(Nc4cccc(c4)S(O)(=O)=O)nc(Cl)n5)ccc6S(O)(=O)=O)n7


cas: 93942-66-6
chemspiderid: 17287857
dtxsid: DTXSID90239928
formula: C52H38Cl2N18O26S8
inchikey: QQLRAOUUQHSXIJ-WGMFIIQRSA-N
norman_susdat_id: NS00039784
pubchem_cid: NA
name:
7,7'-((2,2'-Disulpho(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(carbamoylamino)-4,1-phenylene)azo))bis(naphthalene-1,3,6-trisulphonic) acid

inchi:
InChI=1S/C52H38Cl2N18O26S8/c53-45-63-49(57-23-3-7-33(35(13-23)61-47(55)73)69-71-37-19-31-21(11-43(37)105(93,94)95)9-27(99(75,76)77)17-41(31)103(87,88)89)67-51(65-45)59-25-1-5-29(39(15-25)101(81,82)83)30-6-2-26(16-40(30)102(84,85)86)60-52-66-46(54)64-50(68-52)58-24-4-8-34(36(14-24)62-48(56)74)70-72-38-20-32-22(12-44(38)106(96,97)98)10-28(100(78,79)80)18-42(32)104(90,91)92/h1-20H,(H3,55,61,73)(H3,56,62,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,57,59,63,65,67)(H2,58,60,64,66,68)/b71-69+,72-70?

smiles:
NC(=O)NC1=C(C=CC(NC2=NC(NC3=CC(=C(C=C3)C3=C(C=C(NC4=NC(Cl)=NC(NC5=CC(NC(N)=O)=C(C=C5)N=NC5=C(C=C6C=C(C=C(C6=C5)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)=N4)C=C3)S(O)(=O)=O)S(O)(=O)=O)=NC(Cl)=N2)=C1)N=NC1=C(C=C2C=C(C=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O


cas: 93942-67-7
dtxsid: DTXSID80904496
formula: C50H44Cl2N18O24S6
inchikey: BKAVGOZWVVRCFE-UHFFFAOYSA-N
norman_susdat_id: NS00064386
pubchem_cid: 136072327
name:
1,3-Benzenedisulfonic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[6-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-

inchi:
InChI=1/C50H44Cl2N18O24S6/c1-5-69-41(73)35(39(53)71)19(3)37(43(69)75)67-65-27-15-25(31(97(83,84)85)17-33(27)99(89,90)91)57-49-61-45(51)59-47(63-49)55-23-11-9-21(29(13-23)95(77,78)79)7-8-22-10-12-24(14-30(22)96(80,81)82)56-48-60-46(52)62-50(64-48)58-26-16-28(34(100(92,93)94)18-32(26)98(86,87)88)66-68-38-20(4)36(40(54)72)42(74)70(6-2)44(38)76/h7-18,75-76H,5-6H2,1-4H3,(H2,53,71)(H2,54,72)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64)

smiles:
O=C(N)C=1C(=O)N(C(O)=C(N=NC=2C=C(NC=3N=C(Cl)N=C(N3)NC4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)O)NC6=NC(Cl)=NC(=N6)NC7=CC(N=NC8=C(O)N(C(=O)C(C(=O)N)=C8C)CC)=C(C=C7S(=O)(=O)O)S(=O)(=O)O)C(=C4)S(=O)(=O)O)C(=CC2S(=O)(=O)O)S(=O)(=O)O)C1C)CC


name: [2-hydroxy-3-(tetradecyloxy)propyl]dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93942-68-8
dtxsid: DTXSID40916934
formula: C25H50NO4
inchikey: ZLILYVWPKRFJEQ-UHFFFAOYSA-M
norman_susdat_id: NS00065693
pubchem_cid: 3023033
smiles: [Cl-].O=C(OCC[N+](C)(C)CC(O)COCCCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C25H50NO4.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-29-22-24(27)21-26(4,5)18-20-30-25(28)23(2)3;/h24,27H,2,6-22H2,1,3-5H3;1H/q+1;/p-1


name: [3-(dodecyloxy)-2-hydroxypropyl]dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93942-69-9
dtxsid: DTXSID80916933
formula: C23H46NO4
inchikey: XOMIGPCQFPTNGG-UHFFFAOYSA-M
norman_susdat_id: NS00064387
pubchem_cid: 3023035
smiles: [Cl-].O=C(OCC[N+](C)(C)CC(O)COCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C23H46NO4.ClH/c1-6-7-8-9-10-11-12-13-14-15-17-27-20-22(25)19-24(4,5)16-18-28-23(26)21(2)3;/h22,25H,2,6-20H2,1,3-5H3;1H/q+1;/p-1


name: 2-hydroxypropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]-2-butenoate
cas: 93942-72-4
formula: C12H19N3O5
inchikey: VQCIYHSUYUBOTB-UHFFFAOYSA-N
norman_susdat_id: NS00064428
pubchem_cid: 3023038
smiles: O=C(OCC(O)C)C=CC(=O)NCCN1C(=O)NCC1
inchi:
InChI=1/C12H19N3O5/c1-9(16)8-20-11(18)3-2-10(17)13-4-6-15-7-5-14-12(15)19/h2-3,9,16H,4-8H2,1H3,(H,13,17)(H,14,19)


name: 1-phenyl-2-[4-(phenylmethoxy)phenyl]hydrazine
cas: 93942-75-7
dtxsid: DTXSID00916930
formula: C19H18N2O
inchikey: DQCPCVSZUQXIDF-UHFFFAOYSA-N
norman_susdat_id: NS00064555
pubchem_cid: 3023040
smiles: O(C1=CC=C(C=C1)NNC=2C=CC=CC2)CC=3C=CC=CC3
inchi:
InChI=1/C19H18N2O/c1-3-7-16(8-4-1)15-22-19-13-11-18(12-14-19)21-20-17-9-5-2-6-10-17/h1-14,20-21H,15H2


name: 6-amino-2-(2,4-dimethylphenyl)-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonic acid
cas: 93942-76-8
dtxsid: DTXSID90916929
formula: C20H16N2O5S
inchikey: OHHICTDOJKIUKI-UHFFFAOYSA-N
norman_susdat_id: NS00064429
pubchem_cid: 5133467
smiles: O=C1C2=CC=CC=3C(N)=C(C=C(C(=O)N1C4=CC=C(C=C4C)C)C23)S(=O)(=O)O
inchi:
InChI=1/C20H16N2O5S/c1-10-6-7-15(11(2)8-10)22-19(23)13-5-3-4-12-17(13)14(20(22)24)9-16(18(12)21)28(25,26)27/h3-9H,21H2,1-2H3,(H,25,26,27)


cas: 93942-77-9
dtxsid: DTXSID30916928
formula: C31H26N2O7S
inchikey: XKRHCTVHTPAILO-UHFFFAOYSA-M
norman_susdat_id: NS00064955
pubchem_cid: 92032851
smiles: [Na+].O=C(OCC)C=1C=CC=CC1CC2=CC=C(C(=C2)NC=3C=C(C(N)=C4C(=O)C=5C=CC=CC5C(=O)C34)S(=O)(=O)[O-])C
name:
Sodium 1-ethyl 2-[[3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-p-tolyl]methyl]benzoate

inchi:
InChI=1/C31H26N2O7S.Na/c1-3-40-31(36)20-9-5-4-8-19(20)14-18-13-12-17(2)23(15-18)33-24-16-25(41(37,38)39)28(32)27-26(24)29(34)21-10-6-7-11-22(21)30(27)35;/h4-13,15-16,33H,3,14,32H2,1-2H3,(H,37,38,39);/q;+1/p-1


name: 2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide
cas: 93951-12-3
dtxsid: DTXSID10869160
formula: C28H39Cl2NO3
inchikey: LFDFDMAPABBGSE-UHFFFAOYSA-N
norman_susdat_id: NS00064556
pubchem_cid: 175569
smiles: O=C(NC1=CC(Cl)=C(C(Cl)=C1O)CC)C(OC2=CC=C(C=C2C(C)(C)CC)C(C)(C)CC)CC
inchi:
InChI=1/C28H39Cl2NO3/c1-9-18-20(29)16-21(25(32)24(18)30)31-26(33)22(10-2)34-23-14-13-17(27(5,6)11-3)15-19(23)28(7,8)12-4/h13-16,22,32H,9-12H2,1-8H3,(H,31,33)


cas: 93951-13-4
dtxsid: DTXSID70916922
formula: C13H34N4O3
inchikey: NBQCSGOBMOOUSS-UHFFFAOYSA-L
norman_susdat_id: NS00065738
pubchem_cid: 56841239
smiles: [Cl-].[Cl-].[Cl-].[Cl-].OC(C[NH3+])C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[NH3+]
name:
N,N'-bis(3-ammonio-2-hydroxypropyl)-N,N,N',N'-tetramethyl-N,N'-(2-hydroxypropane-1,3-diyl)diammonium tetrachloride

inchi:
InChI=1/C13H34N4O3.4ClH/c1-16(2,7-11(18)5-14)9-13(20)10-17(3,4)8-12(19)6-15;;;;/h11-13,18-20H,5-10,14-15H2,1-4H3;4*1H/q+2;;;;/p-2


name: 4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-N-(1,1-dimethylethyl)-3-hydroxynaphthalene-2-carboxamide
cas: 93951-14-5
formula: C29H23N3O4
inchikey: ZFXLPLBGWXQZOX-UHFFFAOYSA-N
norman_susdat_id: NS00064557
pubchem_cid: 3023042
smiles: O=C(NC(C)(C)C)C1=CC=2C=CC=CC2C(N=NC3=CC=CC=4C(=O)C=5C=CC=CC5C(=O)C34)=C1O
inchi:
InChI=1/C29H23N3O4/c1-29(2,3)30-28(36)21-15-16-9-4-5-10-17(16)24(27(21)35)32-31-22-14-8-13-20-23(22)26(34)19-12-7-6-11-18(19)25(20)33/h4-15,35H,1-3H3,(H,30,36)


name: 28,28-dibutyl-3,6,9,12,15,18,21,24,27-nonaoxa-28-stannadotriacontan-1-ol
cas: 93951-17-8
formula: C30H64O10Sn
inchikey: KKZNWKXBSPLDMB-UHFFFAOYSA-N
norman_susdat_id: NS00064981
pubchem_cid: 44146771
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCO[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C18H37O10.3C4H9.Sn/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20;3*1-3-4-2;/h19H,1-18H2;3*1,3-4H2,2H3;/q-1;;;;+1/rC30H64O10Sn/c1-4-7-28-41(29-8-5-2,30-9-6-3)40-27-26-39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-32-11-10-31/h31H,4-30H2,1-3H3


cas: 93951-19-0
formula: C30H32N4O8.Na
inchikey: UJBQYUJJXOJSFG-UQIIZPHYSA-M
norman_susdat_id: NS00092436
smiles: [Na+].[O-]C(=O)[C@H](CCCN(C(=N)NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3
name:
N2,N5-bis[(benzyloxy)carbonyl]-N5-[imino[[(benzyloxy)carbonyl]amino]methyl]-L-ornithine, monosodium salt

inchi:
InChI=1/C30H32N4O8.Na/c31-27(33-29(38)41-20-23-13-6-2-7-14-23)34(30(39)42-21-24-15-8-3-9-16-24)18-10-17-25(26(35)36)32-28(37)40-19-22-11-4-1-5-12-22;/h1-9,11-16,25H,10,17-21H2,(H,32,37)(H,35,36)(H2,31,33,38);/q;+1/p-1


cas: 93951-21-4
dtxsid: DTXSID30890431
formula: C27H27N5O20S6
inchikey: GJPONJURWYSMLN-UHFFFAOYSA-J
norman_susdat_id: NS00064430
pubchem_cid: 135666634
name:
Tetrasodium 4-amino-5-hydroxy-6-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C27H27N5O20S6.4Na/c1-50-20-7-6-18(54(36,37)11-9-52-58(47,48)49)14-19(20)30-32-26-22(56(41,42)43)13-15-12-21(55(38,39)40)25(24(28)23(15)27(26)33)31-29-16-2-4-17(5-3-16)53(34,35)10-8-51-57(44,45)46;;;;/h2-7,12-14,33H,8-11,28H2,1H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C1=CC=C(N=NC=2C(N)=C3C(O)=C(N=NC4=CC(=CC=C4OC)S(=O)(=O)CCOS(=O)(=O)[O-])C(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1


cas: 93951-25-8
dtxsid: DTXSID20916917
formula: C15H16Cl6O4
inchikey: LQTQDWMOFMCUMR-UHFFFAOYSA-N
norman_susdat_id: NS00065739
pubchem_cid: 44151145
smiles: ClC1=C(Cl)C2(Cl)C(Cl)(Cl)C1(Cl)CC2(COCC3OC3)COCC4OC4
name:
2,2'-[(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-ylidene)bis(methyleneoxymethylene)]bisoxirane

inchi:
InChI=1/C15H16Cl6O4/c16-10-11(17)14(19)12(6-22-1-8-3-24-8,7-23-2-9-4-25-9)5-13(10,18)15(14,20)21/h8-9H,1-7H2


cas: 93951-26-9
chemspiderid: 21166242
dtxsid: DTXSID60239935
formula: C40H40N2O14
inchikey: YFJHYYOIUUAIFS-UHFFFAOYSA-N
norman_susdat_id: NS00039790
pubchem_cid: 3023045
name:
Tris(2-((2-methyl-1-oxoallyl)oxy)ethyl) 5-(((4-(4-aminophenoxy)phenyl)amino)carbonyl)benzene-1,2,4-tricarboxylate

inchi:
InChI=1S/C40H40N2O14/c1-23(2)35(44)50-15-18-53-38(47)31-22-33(40(49)55-20-17-52-37(46)25(5)6)32(39(48)54-19-16-51-36(45)24(3)4)21-30(31)34(43)42-27-9-13-29(14-10-27)56-28-11-7-26(41)8-12-28/h7-14,21-22H,1,3,5,15-20,41H2,2,4,6H3,(H,42,43)

smiles:
CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)C(=O)OCCOC(=O)C(=C)C


cas: 93951-33-8
dtxsid: DTXSID50881129
norman_susdat_id: NS00110600
name:
1-Propanaminium, N,N,N-trimethyl-2(or 3)-[[[4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl]oxy]phenyl]sulfonyl]amino]-, methyl sulfate


name: Bis[(1-methyl-1-phenylethyl)phenyl] isophthalate
cas: 93951-36-1
dtxsid: DTXSID20239936
formula: C38H34O4
inchikey: WDBRYIRIVBADDQ-UHFFFAOYSA-N
norman_susdat_id: NS00064558
pubchem_cid: 3023047
smiles: O=C(OC=1C=CC=CC1C(C=2C=CC=CC2)(C)C)C3=CC=CC(=C3)C(=O)OC=4C=CC=CC4C(C=5C=CC=CC5)(C)C
inchi:
InChI=1/C38H34O4/c1-37(2,29-18-7-5-8-19-29)31-22-11-13-24-33(31)41-35(39)27-16-15-17-28(26-27)36(40)42-34-25-14-12-23-32(34)38(3,4)30-20-9-6-10-21-30/h5-26H,1-4H3


name: [2-[(2-methyl-1-oxoallyl)oxy]ethyl] hydrogen methylcyclohexane-1,2-dicarboxylate
cas: 93951-37-2
dtxsid: DTXSID40916914
formula: C15H22O6
inchikey: CRYJOLAFTKKXOG-UHFFFAOYSA-N
norman_susdat_id: NS00064982
pubchem_cid: 19082550
smiles: O=C(OCCOC(=O)C1(C)CCCCC1C(=O)O)C(=C)C
inchi:
InChI=1/C15H22O6/c1-10(2)13(18)20-8-9-21-14(19)15(3)7-5-4-6-11(15)12(16)17/h11H,1,4-9H2,2-3H3,(H,16,17)


name: 6-amino-N-(6-aminotrimethylhexyl)hexanamide
cas: 93951-41-8
dtxsid: DTXSID80916913
formula: C15H33N3O
inchikey: LGXKDXAXCUDCPF-UHFFFAOYSA-N
norman_susdat_id: NS00065740
pubchem_cid: 3023048
smiles: O=C(NC(C)(C)C(C)CCCCN)CCCCCN
inchi:
InChI=1/C15H33N3O/c1-13(9-6-8-12-17)15(2,3)18-14(19)10-5-4-7-11-16/h13H,4-12,16-17H2,1-3H3,(H,18,19)


name: Decyl dodecyl trimethyladipate
cas: 93951-44-1
dtxsid: DTXSID20916912
formula: C31H60O4
inchikey: CFMBRMRAFRPVRE-UHFFFAOYSA-N
norman_susdat_id: NS00064559
pubchem_cid: 16205892
smiles: O=C(OCCCCCCCCCCCC)CCC(C)C(C(=O)OCCCCCCCCCC)(C)C
inchi:
InChI=1/C31H60O4/c1-6-8-10-12-14-16-17-19-20-22-26-34-29(32)25-24-28(3)31(4,5)30(33)35-27-23-21-18-15-13-11-9-7-2/h28H,6-27H2,1-5H3


name: Calcium bis[1-methylnaphthalenesulphonate]
cas: 93951-48-5
formula: C11H12O3S
inchikey: ZRYTVEIOPHVLIB-UHFFFAOYSA-L
norman_susdat_id: NS00064432
pubchem_cid: 91997867
smiles: [Ca+2].O=S(=O)([O-])C1(C=2C=CC=CC2C=CC1)C.O=S(=O)([O-])C1(C=2C=CC=CC2C=CC1)C
inchi:
InChI=1/2C11H12O3S.Ca/c2*1-11(15(12,13)14)8-4-6-9-5-2-3-7-10(9)11;/h2*2-7H,8H2,1H3,(H,12,13,14);/q;;+2/p-2


name: Aluminium 1-methylnaphthalenesulphonate
cas: 93951-49-6
formula: C11H10O3S.1/3Al
inchikey: WIRHTKYDQTWQHY-UHFFFAOYSA-K
norman_susdat_id: NS00092222
inchi:
InChI=1/3C11H12O3S.Al/c3*1-11(15(12,13)14)8-4-6-9-5-2-3-7-10(9)11;/h3*2-7H,8H2,1H3,(H,12,13,14);/q;;;+3/p-3

smiles:
[Al+3].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-].CC3(CC=Cc4ccccc34)S(=O)(=O)[O-].CC5(CC=Cc6ccccc56)S(=O)(=O)[O-]


name: Tributyl(nonylphenoxy)stannane
cas: 93951-53-2
dtxsid: DTXSID30916908
formula: C27H50OSn
inchikey: AUUCFFBDPSCYHT-UHFFFAOYSA-M
norman_susdat_id: NS00063913
pubchem_cid: 16684544
smiles: O(C=1C=CC=CC1CCCCCCCCC)[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C15H24O.3C4H9.Sn/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;3*1-3-4-2;/h9-10,12-13,16H,2-8,11H2,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC27H50OSn/c1-5-9-13-14-15-16-17-20-26-21-18-19-22-27(26)28-29(23-10-6-2,24-11-7-3)25-12-8-4/h18-19,21-22H,5-17,20,23-25H2,1-4H3


cas: 93951-61-2
dtxsid: DTXSID80239937
formula: C48H32Cl4N14O26P2S6
inchikey: KVSSMMDSKZGFII-UHFFFAOYSA-N
norman_susdat_id: NS00063914
pubchem_cid: NA
name:
6,13-dichloro-3,10-bis[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulphophenyl]amino]triphenodioxazine-4,11-disulphonic acid

inchi:
InChI=1/C48H32Cl4N14O26P2S6/c49-33-36-40(92-38-22(58-36)8-10-24(42(38)100(88,89)90)56-26-14-32(98(82,83)84)28(16-30(26)96(76,77)78)60-48-64-44(52)62-46(66-48)54-18-4-2-6-20(12-18)94(70,71)72)34(50)35-39(33)91-37-21(57-35)7-9-23(41(37)99(85,86)87)55-25-13-31(97(79,80)81)27(15-29(25)95(73,74)75)59-47-63-43(51)61-45(65-47)53-17-3-1-5-19(11-17)93(67,68)69/h1-16,55-56H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,59,61,63,65)(H2,54,60,62,64,66)

smiles:
O=P(O)(O)C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC=3C=C(C(=CC3S(=O)(=O)O)NC4=CC=C5N=C6C(Cl)=C7OC8=C(N=C7C(Cl)=C6OC5=C4S(=O)(=O)O)C=CC(NC9=CC(=C(C=C9S(=O)(=O)O)NC=%10N=C(Cl)N=C(N%10)NC%11=CC=CC(=C%11)P(=O)(O)O)S(=O)(=O)O)=C8S(=O)(=O)O)S(=O)(=O)O


name: 1-(2-aminoethyl)-2-(dimethylheptyl)-3-ethyl-4,5-dihydro-1H-imidazolium ethyl sulphate
cas: 93951-63-4
dtxsid: DTXSID10916906
formula: C16H35N3
inchikey: RCAJPFMDFGRZOU-UHFFFAOYSA-N
norman_susdat_id: NS00063915
pubchem_cid: 57356327
smiles: O=S(=O)([O-])OCC.NCC[NH+]1CCN(CC)C1C(C)(C)CCCCCC
inchi:
InChI=1/C16H35N3.C2H6O4S/c1-5-7-8-9-10-16(3,4)15-18(6-2)13-14-19(15)12-11-17;1-2-6-7(3,4)5/h15H,5-14,17H2,1-4H3;2H2,1H3,(H,3,4,5)


name: 1-(2-aminoethyl)-2-(dimethylheptyl)-4,5-dihydro-3-methyl-1H-imidazolium methyl sulphate
cas: 93951-65-6
dtxsid: DTXSID50916905
formula: C15H33N3
inchikey: GUVUVMVZCZEZNF-UHFFFAOYSA-N
norman_susdat_id: NS00063916
pubchem_cid: 57356329
smiles: O=S(=O)([O-])OC.NCC[NH+]1CCN(C)C1C(C)(C)CCCCCC
inchi:
InChI=1/C15H33N3.CH4O4S/c1-5-6-7-8-9-15(2,3)14-17(4)12-13-18(14)11-10-16;1-5-6(2,3)4/h14H,5-13,16H2,1-4H3;1H3,(H,2,3,4)


name: Fluvastatin
cas: 93957-54-1
chebiid: CHEBI:38565
chemspiderid: 393587
dtxsid: DTXSID2020636
formula: C24H26F1N1O4
inchikey: FJLGEFLZQAZZCD-MCBHFWOFSA-N
norman_susdat_id: NS00000542
pubchem_cid: 446155
smiles: O=C(O)C[C@H](O)C[C@H](O)/C=C/c2c(c1ccccc1n2C(C)C)c3ccc(F)cc3
inchi:
InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1


name: Fluvastatin sodium
cas: 93957-55-2
chebiid: CHEBI:77602
dtxsid: DTXSID3044758
formula: C24H25FNNaO4
inchikey: ZGGHKIMDNBDHJB-NRFPMOEYSA-M
norman_susdat_id: NS00076271
smiles: [Na+].CC(C)N1C(C=C[C@@H](O)C[C@@H](O)CC([O-])=O)=C(C2=C1C=CC=C2)C1=CC=C(F)C=C1
inchi:
InChI=1/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;/t18-,19-;/s2


name: Bis(tridecafluorohexyl) disulphide
cas: 93962-52-8
chemspiderid: 2289369
dtxsid: DTXSID30239942
formula: C12F26S2
inchikey: OCCOAYPOGQDEOQ-UHFFFAOYSA-N
norman_susdat_id: NS00019331
pubchem_cid: 3023059
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)SSC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12F26S2/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)39-40-12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34


cas: 93962-60-8
formula: C22H27N3O16S3
inchikey: NIBZBGNFUYDGRC-UHFFFAOYSA-N
norman_susdat_id: NS00064913
pubchem_cid: 44152117
smiles: [Na+].O=C(NC=1C=C(OC)C(OS(=O)(=O)O)=CC1OC)C(N=NC=2C=C(OC)C(=CC2OC)S(=O)(=O)CCOS(=O)(=O)O)C(=O)C
name:
2-[[2,5-dimethoxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-N-[2,5-dimethoxy-4-(sulphooxy)phenyl]-3-oxobutyramide, sodium salt

inchi:
InChI=1/C22H27N3O16S3.Na/c1-12(26)21(22(27)23-13-8-17(38-4)18(10-15(13)36-2)41-44(33,34)35)25-24-14-9-19(39-5)20(11-16(14)37-3)42(28,29)7-6-40-43(30,31)32;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);/q;+1


name: a,a-diphenylpiperidine-1-butyronitrile monohydrobromide
cas: 93962-63-1
dtxsid: DTXSID50916900
formula: C21H24N2
inchikey: JVGBFVXICOAWBP-UHFFFAOYSA-N
norman_susdat_id: NS00064914
pubchem_cid: 44146969
smiles: Br.N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3CCCCC3
inchi:
InChI=1/C21H24N2.BrH/c22-18-21(19-10-4-1-5-11-19,20-12-6-2-7-13-20)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13H,3,8-9,14-17H2;1H


name: (E)-3-[6-[1-hydroxy-3-pyrrolidinyl-1-(p-tolyl)propyl]-2-pyridyl]acrylic acid
cas: 93962-64-2
formula: C22H26N2O3
inchikey: KBOVTNPKTWUFRD-VAWYXSNFSA-N
norman_susdat_id: NS00063658
pubchem_cid: 20836287
smiles: O=C(O)C=CC=1N=C(C=CC1)C(O)(C2=CC=C(C=C2)C)CCN3CCCC3
inchi:
InChI=1/C22H26N2O3/c1-17-7-9-18(10-8-17)22(27,13-16-24-14-2-3-15-24)20-6-4-5-19(23-20)11-12-21(25)26/h4-12,27H,2-3,13-16H2,1H3,(H,25,26)


name: 1-(p-chlorophenyl)-3-(5-chloro-2-hydroxyphenyl)propan-1-ol
cas: 93962-67-5
dtxsid: DTXSID40916898
formula: C15H14Cl2O2
inchikey: ZRSNFMIYYITIIK-UHFFFAOYSA-N
norman_susdat_id: NS00063495
pubchem_cid: 3023064
smiles: ClC1=CC=C(C=C1)C(O)CCC2=CC(Cl)=CC=C2O
inchi:
InChI=1/C15H14Cl2O2/c16-12-4-1-10(2-5-12)14(18)7-3-11-9-13(17)6-8-15(11)19/h1-2,4-6,8-9,14,18-19H,3,7H2


name: 1,4-diazoniabicyclo[2.2.2]octane bis(toluene-p-sulphonate)
cas: 93962-72-2
formula: C7H8O3S.1/2C6H12N2
inchikey: NUKKGWZEIYATPX-UHFFFAOYSA-N
norman_susdat_id: NS00091705
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-].C3C[NH+]4CC[NH+]3CC4
inchi:
InChI=1/2C7H8O3S.C6H12N2/c2*1-6-2-4-7(5-3-6)11(8,9)10;1-2-8-5-3-7(1)4-6-8/h2*2-5H,1H3,(H,8,9,10);1-6H2


name: (2-cyanopropyl)ethyl(2-ethylhexyl)sulphonium benzenesulphonate
cas: 93962-74-4
formula: C14H28NS.C6H5O3S
inchikey: JUHAAEMBHBXZGX-UHFFFAOYSA-M
norman_susdat_id: NS00092417
smiles: CCCCC(CC)C[S+](CC)CC(C)C#N.[O-]S(=O)(=O)c1ccccc1
inchi:
InChI=1/C14H28NS.C6H6O3S/c1-5-8-9-14(6-2)12-16(7-3)11-13(4)10-15;7-10(8,9)6-4-2-1-3-5-6/h13-14H,5-9,11-12H2,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1


name: 2-ethyl-N-[3-(1H-imidazol-1-yl)propyl]hexanamide
cas: 93962-76-6
dtxsid: DTXSID80916892
formula: C14H25N3O
inchikey: NPSRAWALWBFKEK-UHFFFAOYSA-N
norman_susdat_id: NS00064917
pubchem_cid: 3023068
smiles: O=C(NCCCN1C=NC=C1)C(CC)CCCC
inchi:
InChI=1/C14H25N3O/c1-3-5-7-13(4-2)14(18)16-8-6-10-17-11-9-15-12-17/h9,11-13H,3-8,10H2,1-2H3,(H,16,18)


name: (octahydro-4,7-methano-1H-indenediyl)dimethylene hydrogen succinate
cas: 93962-79-9
dtxsid: DTXSID60916890
formula: C28H36O16
inchikey: TVGODUGMKUZHDW-UHFFFAOYSA-K
norman_susdat_id: NS00063496
pubchem_cid: NA
smiles: O=C([O-])CCC(=O)OC(OC(=O)CCC(=O)[O-])C1(CCC2C3CCC(C3)C21)C(OC(=O)CCC(=O)[O-])OC(=O)CCC(=O)O
inchi:
InChI=1/C28H36O16/c29-17(30)3-7-21(37)41-26(42-22(38)8-4-18(31)32)28(12-11-16-14-1-2-15(13-14)25(16)28)27(43-23(39)9-5-19(33)34)44-24(40)10-6-20(35)36/h14-16,25-27H,1-13H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)/p-3


name: N,N'-[(octahydro-4,7-methano-1H-indenediyl)dimethylene]bis[4-hydroxy-N-methylbutyramide]
cas: 93962-82-4
dtxsid: DTXSID30916887
formula: C22H38N2O4
inchikey: VWLIXMKEAPCVTQ-UHFFFAOYSA-N
norman_susdat_id: NS00063671
pubchem_cid: 57356333
smiles: O=C(N(C)CC1(CN(C(=O)CCCO)C)CCC2C3CCC(C3)C21)CCCO
inchi:
InChI=1/C22H38N2O4/c1-23(19(27)5-3-11-25)14-22(15-24(2)20(28)6-4-12-26)10-9-18-16-7-8-17(13-16)21(18)22/h16-18,21,25-26H,3-15H2,1-2H3


name: Ammonium diheptylnaphthalenesulphonate
cas: 93962-85-7
dtxsid: DTXSID50239949
formula: C24H36O3S
inchikey: UWASBNOHSIELBY-UHFFFAOYSA-N
norman_susdat_id: NS00064057
pubchem_cid: 3023069
smiles: O=S(=O)([O-])C=1C=2C=CC=CC2C=C(C1CCCCCCC)CCCCCCC.[NH4+]
inchi:
InChI=1/C24H36O3S.H3N/c1-3-5-7-9-11-15-20-19-21-16-13-14-18-23(21)24(28(25,26)27)22(20)17-12-10-8-6-4-2;/h13-14,16,18-19H,3-12,15,17H2,1-2H3,(H,25,26,27);1H3


name: Tetraeuropium hexaphosphate
cas: 93962-88-0
formula: Eu.3/4H4O7P2
inchi: InChI=1/4Eu.6H3O4P/c;;;;6*1-5(2,3)4/h;;;;6*(H3,1,2,3,4)/q4*+2;;;;;;/p-18
inchikey: LDMPHZXBHJXDAN-UHFFFAOYSA-A
norman_susdat_id: NS00091952
smiles:
[Eu+2].[Eu+2].[Eu+2].[Eu+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]


cas: 93962-96-0
chemspiderid: 21166257
dtxsid: DTXSID60239950
formula: C36H26N2O9S2
inchikey: WRBLIYGWSPTRCL-UHFFFAOYSA-L
norman_susdat_id: NS00039795
pubchem_cid: 56841260
name:
Disodium 14-ethoxy-17-isopropylanthra(2,1,9-mna)benz(6,7)indazolo(2,3,4-fgh)acridin-5,10-diyl bis(sulphate)

inchi:
InChI=1S/C36H26N2O9S2/c1-4-45-27-11-7-10-22-29(27)32-31-24(36(22)47-49(42,43)44)15-13-20-19-12-14-23-28-26(18-8-5-6-9-21(18)35(23)46-48(39,40)41)16-25(17(2)3)34(30(19)28)38(37-32)33(20)31/h5-17H,4H2,1-3H3,(H,39,40,41)(H,42,43,44)

smiles:
[Na+].[Na+].CCOC1=CC=CC2=C1C1=NN3C4=C1C(C=CC4=C1C=CC4=C(OS([O-])(=O)=O)C5=CC=CC=C5C5=CC(C(C)C)=C3C1=C45)=C2OS([O-])(=O)=O


cas: 93962-98-2
dtxsid: DTXSID20239951
formula: C36H20Br2O10S2
inchikey: NQCYVKMFVLIHCU-UHFFFAOYSA-L
norman_susdat_id: NS00063701
pubchem_cid: 56841262
name:
Dipotassium 2,13-dibromo-16,17-dimethoxydinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-diyl bissulphate

inchi:
InChI=1/C36H20Br2O10S2.2K/c1-45-27-13-25-23-11-15(37)3-5-19(23)35(47-49(39,40)41)21-9-7-17-18-8-10-22-30-26(14-28(46-2)34(32(18)30)33(27)31(17)29(21)25)24-12-16(38)4-6-20(24)36(22)48-50(42,43)44;;/h3-14H,1-2H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[K+].[K+].O=S(=O)([O-])OC=1C2=CC=C(Br)C=C2C=3C=C(OC)C=4C=5C(OC)=CC=6C=7C=C(Br)C=CC7C(OS(=O)(=O)[O-])=C8C=CC(=C9C=CC1C3C94)C5C86


name: Dipotassium 5,5'-dibromo-4,4'-dichloro[2,2'-bi-1H-indole]-3,3'-diyl disulphate
cas: 93962-99-3
dtxsid: DTXSID80239952
formula: C16H6Br2Cl2N2O8S2
inchikey: ITIDBNOKUPJLIL-UHFFFAOYSA-L
norman_susdat_id: NS00064932
pubchem_cid: NA
smiles: [K+].[K+].O=S(=O)([O-])OC=1C(N=C2C=CC(Br)=C(Cl)C21)=C3N=C4C=CC(Br)=C(Cl)C4=C3OS(=O)(=O)[O-]
inchi:
InChI=1/C16H6Br2Cl2N2O8S2.2K/c17-5-1-3-7-9(11(5)19)15(29-31(23,24)25)13(21-7)14-16(30-32(26,27)28)10-8(22-14)4-2-6(18)12(10)20;;/h1-4H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2


name: 17-isopropylanthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione
cas: 93963-00-9
dtxsid: DTXSID70916881
formula: C34H20N2O2
inchikey: YEZSZKXTCCZSHW-UHFFFAOYSA-N
norman_susdat_id: NS00064933
pubchem_cid: 57356337
smiles: O=C1C=2C=CC=CC2C3=NN4C=5C(=CC=C1C35)C=6C=CC=7C(=O)C=8C=CC=CC8C9=CC(=C4C6C79)C(C)C
inchi:
InChI=1/C34H20N2O2/c1-16(2)25-15-26-17-7-3-5-9-21(17)33(37)23-13-11-18-20-12-14-24-29-30(19-8-4-6-10-22(19)34(24)38)35-36(31(20)29)32(25)28(18)27(23)26/h3-16H,1-2H3


cas: 93963-01-0
dtxsid: DTXSID10916880
formula: C42H34N2O3S
inchikey: QODIXSFSNCDJTA-UHFFFAOYSA-N
norman_susdat_id: NS00063702
pubchem_cid: 44148523
name:
3-(methylsulphonyl)-N-[5,10,15,16-tetrahydro-17-isopropylanthra[2,1,9-mna]naphth[2,3-h]acridin-11-yl]benzamide

inchi:
InChI=1/C42H34N2O3S/c1-23(2)33-22-36-30-12-5-4-8-24(30)18-27-15-16-31-32-17-14-26-20-34-25(21-35(26)40(32)44-41(33)39(31)38(27)36)9-7-13-37(34)43-42(45)28-10-6-11-29(19-28)48(3,46)47/h4-17,19,22-23,44H,18,20-21H2,1-3H3,(H,43,45)

smiles:
O=C(NC1=CC=CC2=C1CC3=CC=C4C=5C=CC6=C7C(=CC(=C(NC4=C3C2)C57)C(C)C)C=8C=CC=CC8C6)C9=CC=CC(=C9)S(=O)(=O)C


name: 1,4-bis(2-ethylhexyl) 2-sulphosuccinate, compound with 2-aminoethanol (1:1)
cas: 93963-04-3
formula: C20H38O7S.C2H7NO
inchikey: JTJXNYGUWBMYAL-UHFFFAOYSA-N
norman_susdat_id: NS00091775
smiles: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.NCCO
inchi:
InChI=1/C20H38O7S.C2H7NO/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;3-1-2-4/h16-18H,5-15H2,1-4H3,(H,23,24,25);4H,1-3H2


name: Sodium [2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]acetate
cas: 93963-06-5
dtxsid: DTXSID00239954
formula: C18H34N2O3
inchikey: KQXWIQRUJQQXFG-UHFFFAOYSA-M
norman_susdat_id: NS00063531
pubchem_cid: 3023075
smiles: [Na+].O=C([O-])COCCN1C(=NCC1)CCCCCCCCCCC
inchi:
InChI=1/C18H34N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17)14-15-23-16-18(21)22;/h2-16H2,1H3,(H,21,22);/q;+1/p-1


name: Sodium [2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]acetate
cas: 93963-07-6
dtxsid: DTXSID60239955
formula: C24H46N2O3
inchikey: UXJVKMLQYNRISL-UHFFFAOYSA-M
norman_susdat_id: NS00064088
pubchem_cid: 3023077
smiles: [Na+].O=C([O-])COCCN1C(=NCC1)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H46N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23)20-21-29-22-24(27)28;/h2-22H2,1H3,(H,27,28);/q;+1/p-1


name: Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, monohydrochloride
cas: 93963-15-6
formula: C36H38N2O6.ClH
inchikey: DDXVIRJNJOBMBN-DUZWKJOOSA-N
norman_susdat_id: NS00091966
smiles: Cl.COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
inchi:
InChI=1/C36H38N2O6.ClH/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32;/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3;1H


name: 2,2'-[piperazine-1,4-diylbis(thio)]bisbenzothiazole
cas: 93963-17-8
dtxsid: DTXSID40916873
formula: C18H16N4S4
inchikey: ZPRKIYGGPADCPK-UHFFFAOYSA-N
norman_susdat_id: NS00064956
pubchem_cid: 44152246
smiles: N1=C(SC=2C=CC=CC12)SN3CCN(SC4=NC=5C=CC=CC5S4)CC3
inchi:
InChI=1/C18H16N4S4/c1-3-7-15-13(5-1)19-17(23-15)25-21-9-11-22(12-10-21)26-18-20-14-6-2-4-8-16(14)24-18/h1-8H,9-12H2


name: Sodium (5a)-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-6-sulphonate
cas: 93963-25-8
dtxsid: DTXSID40239958
formula: C17H21NO6S
inchikey: ICKYFCLZEJHRFB-RKNHQSIYSA-M
norman_susdat_id: NS00063534
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1(O)CCC2C3N(C)CCC42C5=C(OC14)C(O)=CC=C5C3
inchi:
InChI=1/C17H21NO6S.Na/c1-18-7-6-16-10-4-5-17(20,25(21,22)23)15(16)24-14-12(19)3-2-9(13(14)16)8-11(10)18;/h2-3,10-11,15,19-20H,4-8H2,1H3,(H,21,22,23);/q;+1/p-1


name: Sodium (5a)-4,5-epoxy-6-hydroxy-3-methoxy-17-methylmorphinan-6-sulphonate
cas: 93963-26-9
dtxsid: DTXSID00239959
formula: C18H23NO6S
inchikey: MSWYSONGDIURAJ-NSOLXDFJSA-M
norman_susdat_id: NS00063722
pubchem_cid: 56841278
smiles: [Na+].O=S(=O)([O-])C1(O)CCC2C3N(C)CCC42C5=C(OC14)C(OC)=CC=C5C3
inchi:
InChI=1/C18H23NO6S.Na/c1-19-8-7-17-11-5-6-18(20,26(21,22)23)16(17)25-15-13(24-2)4-3-10(14(15)17)9-12(11)19;/h3-4,11-12,16,20H,5-9H2,1-2H3,(H,21,22,23);/q;+1/p-1


name: 3-Chloro-N-(4-chloro-2-(anilino)phenyl)propionamide
cas: 93963-27-0
chemspiderid: 2289392
dtxsid: DTXSID10239960
formula: C15H14Cl2N2O1
inchikey: FFTZQCADOSDDJO-UHFFFAOYSA-N
norman_susdat_id: NS00039797
pubchem_cid: 3023087
smiles: ClCCC(=O)Nc1c(Nc2ccccc2)cc(Cl)cc1
inchi:
InChI=1S/C15H14Cl2N2O/c16-9-8-15(20)19-13-7-6-11(17)10-14(13)18-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2,(H,19,20)


name: [2-(methacryloyloxy)ethyl]dimethyltetradecylammonium bromide
cas: 93963-45-2
dtxsid: DTXSID80916852
formula: C22H44NO2
inchikey: RLXOMWVHDGMFGA-UHFFFAOYSA-M
norman_susdat_id: NS00063756
pubchem_cid: 21149762
smiles: [Br-].O=C(OCC[N+](C)(C)CCCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C22H44NO2.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4,5)19-20-25-22(24)21(2)3;/h2,6-20H2,1,3-5H3;1H/q+1;/p-1


name: (p-dodecylbenzyl)dimethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93963-46-3
dtxsid: DTXSID20916851
formula: C26H44NO2
inchikey: MLSHZAJDVCMNGE-UHFFFAOYSA-M
norman_susdat_id: NS00063757
pubchem_cid: 3023096
smiles: [Cl-].O=C(OCC[N+](C)(C)CC1=CC=C(C=C1)CCCCCCCCCCCC)C=C
inchi:
InChI=1/C26H44NO2.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-24-17-19-25(20-18-24)23-27(3,4)21-22-29-26(28)6-2;/h6,17-20H,2,5,7-16,21-23H2,1,3-4H3;1H/q+1;/p-1


name: (p-dodecylbenzyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 93963-47-4
dtxsid: DTXSID60916850
formula: C27H46NO2
inchikey: ZMTPVMXQYQBZQJ-UHFFFAOYSA-M
norman_susdat_id: NS00064135
pubchem_cid: 3023098
smiles: [Cl-].O=C(OCC[N+](C)(C)CC1=CC=C(C=C1)CCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C27H46NO2.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-25-17-19-26(20-18-25)23-28(4,5)21-22-30-27(29)24(2)3;/h17-20H,2,6-16,21-23H2,1,3-5H3;1H/q+1;/p-1


name: (3-cyano-2-hydroxypropyl)trimethylammonium hydrogen oxalate
cas: 93963-50-9
formula: C7H15N2O.C2HO4
inchikey: TZZVPAIYNRLTPR-UHFFFAOYSA-L
norman_susdat_id: NS00091793
smiles: C[N+](C)(C)CC(O)CC#N.[O-]C(=O)C(=O)[O-]
inchi:
InChI=1/C7H15N2O.C2H2O4/c1-9(2,3)6-7(10)4-5-8;3-1(4)2(5)6/h7,10H,4,6H2,1-3H3;(H,3,4)(H,5,6)/q+1;/p-2


cas: 93963-52-1
formula: C21H26N2O3.C5H7NO3
inchikey: BEAUNJJDFQHPFU-WIHLWDMDSA-N
norman_susdat_id: NS00092446
smiles: CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@](O)(C2)C(=O)OC.OC(=O)[C@@H]6CCC(=O)N6
name:
Methyl (3a,14ß,16a)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate, compound with 5-oxo-L-proline (1:1)

inchi:
InChI=1/C21H26N2O3.C5H7NO3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2;7-4-2-1-3(6-4)5(8)9/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthyl)-1H-imidazole (1:1)
cas: 93963-53-2
formula: C13H16N2.C5H7NO3
inchikey: KOUGRVVOGVFXJI-HVDRVSQOSA-N
norman_susdat_id: NS00091989
smiles: OC(=O)[C@@H]1CCC(=O)N1.C2CC(C3=NCCN3)c4ccccc4C2
inchi:
InChI=1/C13H16N2.C5H7NO3/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;7-4-2-1-3(6-4)5(8)9/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with (R)-3-hydroxy-a-[(methylamino)methyl]benzyl alcohol (1:1)
cas: 93963-54-3
formula: C9H13NO2.C5H7NO3
inchikey: NSUXTBXMGMEBDG-SCKZZFMESA-N
norman_susdat_id: NS00091990
smiles: CNC[C@H](O)c1cccc(O)c1.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C9H13NO2.C5H7NO3/c1-10-6-9(12)7-3-2-4-8(11)5-7;7-4-2-1-3(6-4)5(8)9/h2-5,9-12H,6H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


cas: 93963-55-4
formula: C28H42Cl2N4O2.2C5H6NO3
inchikey: LSNZDNHWCBEBIE-YHUPNWGDSA-N
norman_susdat_id: NS00091794
name:
N,N'-[(1,2-dioxoethylene)bis(iminoethylene)]bis[(2-chlorobenzyl)diethylammonium] bis(5-oxo-L-prolinate)

inchi:
InChI=1/C28H40Cl2N4O2.2C5H7NO3/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;2*7-4-2-1-3(6-4)5(8)9/h9-16H,5-8,17-22H2,1-4H3;2*3H,1-2H2,(H,6,7)(H,8,9)

smiles:
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl.[O-]C(=O)[C@@H]3CCC(=O)N3.[O-]C(=O)[C@@H]4CCC(=O)N4


cas: 93963-57-6
formula: C18H21N3O.C5H7NO3
inchikey: MVFNCKFRCAIMNT-HVDRVSQOSA-N
norman_susdat_id: NS00091995
smiles: CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13.OC(=O)[C@@H]4CCC(=O)N4
name:
5-oxo-L-proline, compound with 10-[2-(dimethylamino)ethyl]-5,10-dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one (1:1)

inchi:
InChI=1/C18H21N3O.C5H7NO3/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;7-4-2-1-3(6-4)5(8)9/h4-11H,12-13H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)


cas: 93963-58-7
formula: C19H23NO3.C5H7NO3
inchikey: HFLZUGRJAUDEAE-PMWDTKQZSA-N
norman_susdat_id: NS00091996
smiles: CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OC(=O)[C@@H]6CCC(=O)N6
name:
5-oxo-L-proline, compound with (5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol (1:1)

inchi:
InChI=1/C19H23NO3.C5H7NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18;7-4-2-1-3(6-4)5(8)9/h4-7,12-14,18,21H,3,8-10H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 4-hydroxy-a-[(methylamino)methyl]benzyl alcohol (1:1)
cas: 93963-63-4
formula: C9H13NO2.C5H7NO3
inchikey: VHFQABDOCXPGNQ-HVDRVSQOSA-N
norman_susdat_id: NS00092447
smiles: CNCC(O)c1ccc(O)cc1.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C9H13NO2.C5H7NO3/c1-10-6-9(12)7-2-4-8(11)5-3-7;7-4-2-1-3(6-4)5(8)9/h2-5,9-12H,6H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 1-(1-benzylbutyl)pyrrolidine (1:1)
cas: 93963-64-5
formula: C15H23N.C5H7NO3
inchikey: UZAHXMKUBVQSKM-HVDRVSQOSA-N
norman_susdat_id: NS00091795
smiles: CCCC(Cc1ccccc1)N2CCCC2.OC(=O)[C@@H]3CCC(=O)N3
inchi:
InChI=1/C15H23N.C5H7NO3/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14;7-4-2-1-3(6-4)5(8)9/h3-5,9-10,15H,2,6-8,11-13H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 3-(phenylazo)pyridine-2,6-diamine (1:1)
cas: 93963-65-6
formula: C11H11N5.C5H7NO3
inchikey: CTWMROKEAWPZBK-HVDRVSQOSA-N
norman_susdat_id: NS00092448
smiles: OC(=O)[C@@H]1CCC(=O)N1.Nc2ccc(N=Nc1ccccc1)c(N)n2
inchi:
InChI=1/C11H11N5.C5H7NO3/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;7-4-2-1-3(6-4)5(8)9/h1-7H,(H4,12,13,14);3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with 4-[4-tert-butylbenzyl]-1-[4-chlorobenzhydryl]piperazine (2:1)
cas: 93963-66-7
formula: C28H33ClN2.2C5H7NO3
inchikey: NRYBPSTUXITXES-YHUPNWGDSA-N
norman_susdat_id: NS00091796
smiles: CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1.OC(=O)[C@@H]5CCC(=O)N5.OC(=O)[C@@H]6CCC(=O)N6
inchi:
InChI=1/C28H33ClN2.2C5H7NO3/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;2*7-4-2-1-3(6-4)5(8)9/h4-16,27H,17-21H2,1-3H3;2*3H,1-2H2,(H,6,7)(H,8,9)


name: Ethyldimethyl(octadecyl)ammonium ethyl phosphonate
cas: 93963-68-9
formula: C22H48N.C2H6O3P
inchikey: WKDOYEWYDCHIHW-UHFFFAOYSA-M
norman_susdat_id: NS00091808
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOP(=O)[O-]
inchi:
InChI=1/C22H48N.C2H7O3P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;1-2-5-6(3)4/h5-22H2,1-4H3;6H,2H2,1H3,(H,3,4)/q+1;/p-1


name: N,N-diethyl-3-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)azo]aniline
cas: 93963-73-6
formula: NA
inchikey: XNKQOXQNQKLHLN-UHFFFAOYSA-N
norman_susdat_id: NS00063590
pubchem_cid: 3023104
smiles: CCN(CC)c3ccc(N=Nc1cc(nn1)c2ccccc2)c(C)c3
inchi:
InChI=1/C20H23N5/c1-4-25(5-2)17-11-12-18(15(3)13-17)21-23-20-14-19(22-24-20)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,24)


name: (20R)-11ß,17,20,21-tetrahydroxy-6a-methylpregna-1,4-dien-3-one 21-acetate
cas: 93963-74-7
formula: C24H34O6
inchikey: PISINOWVXAIVLQ-OCKJIAMASA-N
norman_susdat_id: NS00063591
pubchem_cid: 93484091
smiles: O=C1C=CC2(C(=C1)C(C)CC3C4CCC(O)(C(O)COC(=O)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19-21,27-29H,6,8-9,11-12H2,1-4H3


name: 22-oxovincaleukoblastine, compound with 5-oxo-L-proline (1:2)
cas: 93963-75-8
formula: C46H56N4O10.2C5H7NO3
inchikey: WEEKHNMBGCPQOG-SBYAFAOCSA-N
norman_susdat_id: NS00091997
inchi:
InChI=1/C46H56N4O10.2C5H7NO3/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;2*7-4-2-1-3(6-4)5(8)9/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;2*3H,1-2H2,(H,6,7)(H,8,9)

smiles:
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OC(=O)[C@@H]%10CCC(=O)N%10.OC(=O)[C@@H]%11CCC(=O)N%11


name: 1,1'-ethylenebis[4,5-dihydro-2-(heptadecenyl)-1H-imidazole]
cas: 93963-91-8
formula: C42H78N4
inchikey: JDPQVQWKTYBHRX-UHFFFAOYSA-N
norman_susdat_id: NS00063609
pubchem_cid: 53446566
smiles: N1=C(C=CCCCCCCCCCCCCCCC)N(CC1)CCN2C(=NCC2)C=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C42H78N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-43-35-37-45(41)39-40-46-38-36-44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30,35-40H2,1-2H3


name: Sorbitan, mono-10-undecenoate
cas: 93963-92-9
chemspiderid: NA
dtxsid: DTXSID80239977
formula: C17H30O6
inchikey: RXFIWSTUNSCACT-XOSAIJSUSA-N
norman_susdat_id: NS00039805
pubchem_cid: 44150086
smiles: OC[C@@H](OC(=O)CCCCCCCCC=C)[C@H]1OC[C@H](O)[C@H]1O
inchi:
InChI=1S/C17H30O6/c1-2-3-4-5-6-7-8-9-10-15(20)23-14(11-18)17-16(21)13(19)12-22-17/h2,13-14,16-19,21H,1,3-12H2/t13-,14+,16+,17+/m0/s1


name: Sorbitan, tetradodecanoate
cas: 93963-93-0
chemspiderid: 34998758
dtxsid: DTXSID40239978
formula: C54H100O9
inchikey: YWSDIOKOZYVZFR-OHTOXZDKSA-N
norman_susdat_id: NS00039806
pubchem_cid: 44147512
smiles: CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCC)[C@H]1OC[C@H](OC(=O)CCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C54H100O9/c1-5-9-13-17-21-25-29-33-37-41-49(55)59-45-47(61-50(56)42-38-34-30-26-22-18-14-10-6-2)53-54(63-52(58)44-40-36-32-28-24-20-16-12-8-4)48(46-60-53)62-51(57)43-39-35-31-27-23-19-15-11-7-3/h47-48,53-54H,5-46H2,1-4H3/t47-,48+,53-,54-/m1/s1


name: Sorbitan, mono(12-hydroxyoctadecanoate)
cas: 93963-94-1
chemspiderid: 34998755
dtxsid: DTXSID00239979
formula: C24H46O7
inchikey: XQAQXKMCCIJQGO-JVKPGNLISA-N
norman_susdat_id: NS00022891
pubchem_cid: 44153071
smiles: CCCCCCC(O)CCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
inchi:
InChI=1S/C24H46O7/c1-2-3-4-11-14-19(26)15-12-9-7-5-6-8-10-13-16-22(28)31-21(17-25)24-23(29)20(27)18-30-24/h19-21,23-27,29H,2-18H2,1H3/t19-,20-,21+,23+,24+/m0/s1


name: Sorbitan, tris(12-hydroxyoctadecanoate)
cas: 93963-95-2
chemspiderid: 34998754
dtxsid: DTXSID10239980
formula: C60H114O11
inchikey: NVIBSPDSEWSWGY-RWWAATTFSA-N
norman_susdat_id: NS00039807
pubchem_cid: 44147611
inchi:
InChI=1S/C60H114O11/c1-4-7-10-31-40-51(62)43-34-25-19-13-16-22-28-37-46-56(65)69-54(49-61)59-60(71-58(67)48-39-30-24-18-15-21-27-36-45-53(64)42-33-12-9-6-3)55(50-68-59)70-57(66)47-38-29-23-17-14-20-26-35-44-52(63)41-32-11-8-5-2/h51-55,59-64H,4-50H2,1-3H3/t51-,52+,53-,54-,55+,59-,60-/m1/s1

smiles:
CCCCCCC(O)CCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](OC(=O)CCCCCCCCCCC(O)CCCCCC)[C@H]1OC(=O)CCCCCCCCCCC(O)CCCCCC


name: 2,10-Dipropionyl-10H-phenothiazine
cas: 93963-98-5
chemspiderid: 2289409
dtxsid: DTXSID30239982
formula: C18H17N1O2S1
inchikey: INBFDIYBWKUJRJ-UHFFFAOYSA-N
norman_susdat_id: NS00039809
pubchem_cid: 3023106
smiles: CCC(=O)N1c2ccccc2Sc2ccc(cc12)C(=O)CC
inchi:
InChI=1S/C18H17NO2S/c1-3-15(20)12-9-10-17-14(11-12)19(18(21)4-2)13-7-5-6-8-16(13)22-17/h5-11H,3-4H2,1-2H3


cas: 93964-00-2
formula: C18H21NO3.C5H7NO3
inchikey: NIJHJJMLAKLIMI-QRPBZDQQSA-N
norman_susdat_id: NS00091736
smiles: COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OC(=O)[C@@H]6CCC(=O)N6
name:
5-oxo-L-proline, compound with (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol (1:1)

inchi:
InChI=1/C18H21NO3.C5H7NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;7-4-2-1-3(6-4)5(8)9/h3-6,11-13,17,20H,7-9H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: N-(2-ethylhexyl)-1-[[3-methyl-4-[(2-methylphenyl)azo]phenyl]azo]naphthalen-2-amine
cas: 93964-06-8
formula: C32H37N5
inchikey: SXVHVJCVEMSNCS-UHFFFAOYSA-N
norman_susdat_id: NS00063610
pubchem_cid: 3023107
smiles: N(=NC1=C(C=CC=2C=CC=CC21)NCC(CC)CCCC)C3=CC=C(N=NC=4C=CC=CC4C)C(=C3)C
inchi:
InChI=1/C32H37N5/c1-5-7-13-25(6-2)22-33-31-19-17-26-14-9-10-15-28(26)32(31)37-34-27-18-20-30(24(4)21-27)36-35-29-16-11-8-12-23(29)3/h8-12,14-21,25,33H,5-7,13,22H2,1-4H3


name: N-(2-ethylhexyl)-1-[[2-methyl-4-[(4-methylphenyl)azo]phenyl]azo]naphthalen-2-amine
cas: 93964-07-9
formula: C32H37N5
inchikey: VPHFOJAMECRLDV-UHFFFAOYSA-N
norman_susdat_id: NS00063929
pubchem_cid: 3023108
smiles: N(=NC1=CC=C(N=NC2=C(C=CC=3C=CC=CC32)NCC(CC)CCCC)C(=C1)C)C4=CC=C(C=C4)C
inchi:
InChI=1/C32H37N5/c1-5-7-10-25(6-2)22-33-31-19-15-26-11-8-9-12-29(26)32(31)37-36-30-20-18-28(21-24(30)4)35-34-27-16-13-23(3)14-17-27/h8-9,11-21,25,33H,5-7,10,22H2,1-4H3


name: N-(2-ethylhexyl)-1-[[3-methyl-4-[(4-methylphenyl)azo]phenyl]azo]naphthalen-2-amine
cas: 93964-08-0
formula: C32H37N5
inchikey: IKTGESZMTNXFSE-UHFFFAOYSA-N
norman_susdat_id: NS00063353
pubchem_cid: 3023109
smiles: N(=NC1=CC=C(N=NC2=C(C=CC=3C=CC=CC32)NCC(CC)CCCC)C=C1C)C4=CC=C(C=C4)C
inchi:
InChI=1/C32H37N5/c1-5-7-10-25(6-2)22-33-31-19-15-26-11-8-9-12-29(26)32(31)37-35-28-18-20-30(24(4)21-28)36-34-27-16-13-23(3)14-17-27/h8-9,11-21,25,33H,5-7,10,22H2,1-4H3


name: N-(2-ethylhexyl)-1-[[2-methyl-4-[(3-methylphenyl)azo]phenyl]azo]naphthalen-2-amine
cas: 93964-09-1
formula: C32H37N5
inchikey: IQEARZIWYMSQMF-UHFFFAOYSA-N
norman_susdat_id: NS00063621
pubchem_cid: 3023110
smiles: N(=NC1=CC=C(N=NC2=C(C=CC=3C=CC=CC32)NCC(CC)CCCC)C(=C1)C)C4=CC=CC(=C4)C
inchi:
InChI=1/C32H37N5/c1-5-7-12-25(6-2)22-33-31-18-16-26-13-8-9-15-29(26)32(31)37-36-30-19-17-28(21-24(30)4)35-34-27-14-10-11-23(3)20-27/h8-11,13-21,25,33H,5-7,12,22H2,1-4H3


name: 1-[(2-ethylhexyl)amino]-4-[(3-methoxypropyl)amino]anthraquinone
cas: 93964-10-4
dtxsid: DTXSID60916830
formula: C26H34N2O3
inchikey: HNLGXHVPWQHLBZ-UHFFFAOYSA-N
norman_susdat_id: NS00063930
pubchem_cid: 11004367
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NCCCOC)C13)NCC(CC)CCCC
inchi:
InChI=1/C26H34N2O3/c1-4-6-10-18(5-2)17-28-22-14-13-21(27-15-9-16-31-3)23-24(22)26(30)20-12-8-7-11-19(20)25(23)29/h7-8,11-14,18,27-28H,4-6,9-10,15-17H2,1-3H3


name: 1-((3-Methoxypropyl)amino)-4-(methylamino)anthraquinone
cas: 93964-11-5
chemspiderid: 17334089
dtxsid: DTXSID10239985
formula: C19H20N2O3
inchikey: IUEBRWKNLMXYOE-UHFFFAOYSA-N
norman_susdat_id: NS00039810
pubchem_cid: 16205903
smiles: CNc1ccc(NCCCOC)c2c1C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C19H20N2O3/c1-20-14-8-9-15(21-10-5-11-24-2)17-16(14)18(22)12-6-3-4-7-13(12)19(17)23/h3-4,6-9,20-21H,5,10-11H2,1-2H3


name: 1,4-Bis((3-methoxypropyl)amino)anthraquinone
cas: 93964-12-6
chemspiderid: 17334090
dtxsid: DTXSID70239986
formula: C22H26N2O4
inchikey: BUXFGXZGTHYNIB-UHFFFAOYSA-N
norman_susdat_id: NS00039811
pubchem_cid: 16205904
smiles: COCCCNc1ccc(NCCCOC)c2c1C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C22H26N2O4/c1-27-13-5-11-23-17-9-10-18(24-12-6-14-28-2)20-19(17)21(25)15-7-3-4-8-16(15)22(20)26/h3-4,7-10,23-24H,5-6,11-14H2,1-2H3


cas: 93964-16-0
formula: C30H23N5O12S3
inchikey: IUSUWEJHIKCWJQ-FINQMERLSA-N
norman_susdat_id: NS00063354
pubchem_cid: NA
name:
2-[2-(4-nitro-2-sulphophenyl)vinyl]-5-[[4-[(4-sulphophenyl)azo]-1-naphthyl]-NNO-azoxy]benzenesulphonic acid

inchi:
InChI=1/C30H21N5O12S3/c36-34(33-28-16-15-27(25-3-1-2-4-26(25)28)32-31-21-9-13-24(14-10-21)48(39,40)41)22-11-7-19(29(17-22)49(42,43)44)5-6-20-8-12-23(35(37)38)18-30(20)50(45,46)47/h1-18H,(H,39,40,41)(H,42,43,44)(H,45,46,47)

smiles:
O=[N+]([O-])C1=CC=C(C=CC2=CC=C(C=C2S(=O)(=O)O)[N+]([O-])=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)O)C=5C=CC=CC35)C(=C1)S(=O)(=O)O


cas: 93964-17-1
formula: C30H24N5O10S3
inchikey: NQNJXUUATOMTPK-ALIUDPAPSA-K
norman_susdat_id: NS00063931
pubchem_cid: NA
name:
Trisodium 2-[2-(4-amino-2-sulphonatophenyl)vinyl]-5-[[4-[(4-sulphonatophenyl)azo]-1-naphthyl]-NNO-azoxy]benzenesulphonate

inchi:
InChI=1/C30H23N5O10S3.3Na/c31-21-9-7-19(29(17-21)47(40,41)42)5-6-20-8-12-23(18-30(20)48(43,44)45)35(36)34-28-16-15-27(25-3-1-2-4-26(25)28)33-32-22-10-13-24(14-11-22)46(37,38)39;;;/h1-18H,31H2,(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=[N+]([O-])C3=CC=C(C=CC4=CC=C(N)C=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])C=5C=CC=CC25)C=C1


cas: 93964-18-2
formula: C30H23N5O10S3
inchikey: NJCNEUZGZDKMHX-FWMFJHBJSA-N
norman_susdat_id: NS00092351
smiles: OS(=O)(=O)c5cc(N)ccc5/C=C/c1ccc(cc1S(O)(=O)=O)[N+](\[O-])=N/c4ccc(N=Nc2ccc(cc2)S(O)(=O)=O)c3ccccc34
name:
2-[2-(4-amino-2-sulphophenyl)vinyl]-5-[[4-[(4-sulphophenyl)azo]-1-naphthyl]-NNO-azoxy]benzenesulphonic acid

inchi:
InChI=1/C30H23N5O10S3/c31-21-9-7-19(29(17-21)47(40,41)42)5-6-20-8-12-23(18-30(20)48(43,44)45)35(36)34-28-16-15-27(25-3-1-2-4-26(25)28)33-32-22-10-13-24(14-11-22)46(37,38)39/h1-18H,31H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)


cas: 93964-19-3
formula: C33H24ClN5O11S3
inchikey: ILAVSFDCLNQBQY-UHFFFAOYSA-N
norman_susdat_id: NS00063622
pubchem_cid: 135801598
name:
7-anilino-3-[[4-[(4-chloro-2-sulphophenyl)azo]-2-methoxy-6-sulphonaphthyl]azo]-4-hydroxynaphthalene-2-sulphonic acid

inchi:
InChI=1/C33H24ClN5O11S3/c1-50-28-17-27(37-36-26-12-7-19(34)15-29(26)52(44,45)46)25-16-22(51(41,42)43)9-11-24(25)31(28)38-39-32-30(53(47,48)49)14-18-13-21(8-10-23(18)33(32)40)35-20-5-3-2-4-6-20/h2-17,35,40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)

smiles:
O=S(=O)(O)C=1C=CC2=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)O)NC=5C=CC=CC5)C(OC)=CC(N=NC6=CC=C(Cl)C=C6S(=O)(=O)O)=C2C1


name: 8-((4-(Acetylamino)phenyl)amino)-5-amino-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid
cas: 93964-20-6
chemspiderid: 73341
dtxsid: DTXSID90239988
formula: C22H17N3O9S2
inchikey: TXFCMXHXEUCLNJ-UHFFFAOYSA-N
norman_susdat_id: NS00039812
pubchem_cid: 81286
smiles: CC(=O)Nc1ccc(Nc2c3C(=O)c4c(cccc4C(=O)c3c(N)c(c2)S(=O)(=O)O)S(=O)(=O)O)cc1
inchi:
InChI=1S/C22H17N3O9S2/c1-10(26)24-11-5-7-12(8-6-11)25-14-9-16(36(32,33)34)20(23)19-18(14)22(28)17-13(21(19)27)3-2-4-15(17)35(29,30)31/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34)


cas: 93964-28-4
formula: C32H31N4OSe2.I
inchi: -
inchikey: BDDKZXTYLKCYSK-UHFFFAOYSA-M
norman_susdat_id: NS00091746
smiles: [I-].CC[n+]5c6ccccc6[se]c5C=C4N(CC)C(=O)C(=CC=C2[Se]c1ccccc1N2CC)N4c3ccccc3
name:
3-ethyl-2-[[1-ethyl-4-[(3-ethyl-3H-benzoselenazol-2-ylidene)ethylidene]-5-oxo-3-phenylimidazolidin-2-ylidene]methyl]benzoselenazolium iodide


name: Lithium 1-(2-aminoethyl) 2-dodecenylsuccinate
cas: 93964-35-3
formula: C18H33NO4
inchikey: FXXUTCWAEPIWDE-UHFFFAOYSA-M
norman_susdat_id: NS00063633
pubchem_cid: NA
smiles: [Li+].O=C([O-])CC(C(=O)OCCN)CC=CCCCCCCCCC
inchi:
InChI=1/C18H33NO4.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16(15-17(20)21)18(22)23-14-13-19;/h10-11,16H,2-9,12-15,19H2,1H3,(H,20,21);/q;+1/p-1


name: Octadecen-1-ol, phosphate, compd. with 2,2'-iminobis[ethanol]
cas: 93964-36-4
formula: -
inchikey: YNAYOEYTFCHZFM-UHFFFAOYSA-L
norman_susdat_id: NS00091747
smiles: OCCNCCO.[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H37O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;6-3-1-5-2-4-7/h17-18H,2-16H2,1H3,(H2,19,20,21);5-7H,1-4H2/p-2


name: Octadecen-1-ol, phosphate, compd. with 2-aminoethanol
cas: 93964-37-5
formula: C18H37O4P
inchikey: SCTWVFXOEWSZOB-UHFFFAOYSA-L
norman_susdat_id: NS00063378
pubchem_cid: 54157657
smiles: O=P([O-])([O-])OC=CCCCCCCCCCCCCCCCC.OCCN
inchi:
InChI=1/C18H37O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;3-1-2-4/h17-18H,2-16H2,1H3,(H2,19,20,21);4H,1-3H2/p-2


cas: 93964-42-2
formula: C38H28N8O13S.xNa
inchikey: KIECRFLINDFGMD-UHFFFAOYSA-M
norman_susdat_id: NS00091633
name:
Sodium 2-[[2-amino-6-[[4'-[(3-carboxy-4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-7-sulpho-1-naphthyl]azo]-5-nitrobenzoate

inchi:
InChI=1/C38H28N8O13S.Na/c1-58-31-13-18(3-9-28(31)42-40-20-5-12-30(47)25(15-20)38(51)52)19-4-10-29(32(14-19)59-2)43-45-35-33(60(55,56)57)17-23-22(36(35)48)7-8-26(39)34(23)44-41-27-11-6-21(46(53)54)16-24(27)37(49)50;/h3-17,47-48H,39H2,1-2H3,(H,49,50)(H,51,52)(H,55,56,57);/q;+1/p-1

smiles:
[Na+].COc4cc(ccc4N=Nc3c(cc2c(N=Nc1ccc(cc1C([O-])=O)[N+]([O-])=O)c(N)ccc2c3O)S(O)(=O)=O)c6ccc(N=Nc5cc(C(O)=O)c(O)cc5)c(OC)c6


name: 4-(Bis(4-(diethylamino)-2-hydroxyphenyl)methyl)benzene-1,3-disulphonic acid
cas: 93964-54-6
chemspiderid: 2289414
dtxsid: DTXSID20239996
formula: C27H34N2O8S2
inchikey: QTURCYIFHGKXSB-UHFFFAOYSA-N
norman_susdat_id: NS00039813
pubchem_cid: 3023113
smiles: CCN(CC)c1cc(O)c(cc1)C(c1c(O)cc(cc1)N(CC)CC)c1c(cc(cc1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C27H34N2O8S2/c1-5-28(6-2)18-9-12-21(24(30)15-18)27(22-13-10-19(16-25(22)31)29(7-3)8-4)23-14-11-20(38(32,33)34)17-26(23)39(35,36)37/h9-17,27,30-31H,5-8H2,1-4H3,(H,32,33,34)(H,35,36,37)


name: 5-[(3-carboxy-4-chlorophenyl)azo]salicylic acid
cas: 93964-55-7
formula: C14H9ClN2O5
inchikey: DGIVHDSCMQYEDB-UHFFFAOYSA-N
norman_susdat_id: NS00063957
pubchem_cid: 3023114
smiles: O=C(O)C1=CC(N=NC2=CC=C(O)C(=C2)C(=O)O)=CC=C1Cl
inchi:
InChI=1/C14H9ClN2O5/c15-11-3-1-7(5-9(11)13(19)20)16-17-8-2-4-12(18)10(6-8)14(21)22/h1-6,18H,(H,19,20)(H,21,22)


cas: 93964-57-9
formula: C31H25N5O12S2
inchikey: OATVEOVJHMSSNG-UHFFFAOYSA-N
norman_susdat_id: NS00063379
pubchem_cid: 136086259
name:
5-[[4'-[(8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylic acid

inchi:
InChI=1/C31H25N5O12S2/c1-47-25-10-15(3-6-22(25)34-33-18-5-8-24(37)20(13-18)31(39)40)16-4-7-23(26(11-16)48-2)35-36-29-27(50(44,45)46)12-17-9-19(49(41,42)43)14-21(32)28(17)30(29)38/h3-14,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43)(H,44,45,46)

smiles:
O=C(O)C1=CC(N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC4=C(O)C5=C(N)C=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)C(OC)=C3)=CC=C1O


cas: 93964-58-0
formula: C31H25N5O12S2.2Na
inchikey: MTHZRBOSKSDRHC-UHFFFAOYSA-L
norman_susdat_id: NS00091891
name:
Disodium hydrogen 5-[[4'-[(8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C31H25N5O12S2.2Na.H2/c1-47-25-10-15(3-6-22(25)34-33-18-5-8-24(37)20(13-18)31(39)40)16-4-7-23(26(11-16)48-2)35-36-29-27(50(44,45)46)12-17-9-19(49(41,42)43)14-21(32)28(17)30(29)38;;;/h3-14,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43)(H,44,45,46);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)c(OC)c5


cas: 93964-59-1
formula: C44H34N8O18S3
inchikey: RXUKCQTWXBGTEZ-UHFFFAOYSA-N
norman_susdat_id: NS00091892
name:
5-[[4'-[[8-[[2,4-dihydroxy-3-[(2-methoxy-5-sulphophenyl)azo]phenyl]azo]-1-hydroxy-3,6-disulpho-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylic acid

inchi:
InChI=1/C44H34N8O18S3/c1-68-35-13-7-25(71(59,60)61)19-31(35)49-51-40-34(54)12-10-30(42(40)55)48-50-32-20-26(72(62,63)64)14-23-17-38(73(65,66)67)41(43(56)39(23)32)52-47-29-9-5-22(16-37(29)70-3)21-4-8-28(36(15-21)69-2)46-45-24-6-11-33(53)27(18-24)44(57)58/h4-20,53-56H,1-3H3,(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)

smiles:
OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S(O)(=O)=O)cc(cc6N=Nc5ccc(O)c(N=Nc4cc(ccc4OC)S(O)(=O)=O)c5O)S(O)(=O)=O)c(OC)c7


cas: 93964-61-5
formula: C25H22ClNO6
inchikey: AAMZDEGBAPMQAP-UHFFFAOYSA-N
norman_susdat_id: NS00091908
smiles: OC(=O)c1cc(cc(C)c1O)C(c2ccc(cc2Cl)N(C)C)=C/3/C=C(/C)C(=O)\C(=C\3)C(O)=O
name:
5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(dimethylamino)phenyl]methyl]-3-methylsalicylic acid

inchi:
InChI=1/C25H22ClNO6/c1-12-7-14(9-18(22(12)28)24(30)31)21(17-6-5-16(27(3)4)11-20(17)26)15-8-13(2)23(29)19(10-15)25(32)33/h5-11,28H,1-4H3,(H,30,31)(H,32,33)


cas: 93964-62-6
formula: C44H34N8O18S3
inchikey: AAIVCTRCLFYLHS-UHFFFAOYSA-K
norman_susdat_id: NS00063400
pubchem_cid: 136086366
name:
Trisodium hydrogen 5-[[4'-[[8-[[2,4-dihydroxy-3-[(2-methoxy-5-sulphonatophenyl)azo]phenyl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C44H34N8O18S3.3Na.H2/c1-68-35-13-7-25(71(59,60)61)19-31(35)49-51-40-34(54)12-10-30(42(40)55)48-50-32-20-26(72(62,63)64)14-23-17-38(73(65,66)67)41(43(56)39(23)32)52-47-29-9-5-22(16-37(29)70-3)21-4-8-28(36(15-21)69-2)46-45-24-6-11-33(53)27(18-24)44(57)58;;;;/h4-20,53-56H,1-3H3,(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;1H/q;4*+1/p-4

smiles:
[H+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2OC)C3=CC=C(N=NC=4C(O)=C5C(N=NC6=CC=C(O)C(N=NC7=CC(=CC=C7OC)S(=O)(=O)[O-])=C6O)=CC(=CC5=CC4S(=O)(=O)[O-])S(=O)(=O)[O-])C(OC)=C3)=CC=C1O


cas: 93964-63-7
formula: C44H34N8O18S3.4Na
inchikey: RBXWTLZGACORKS-UHFFFAOYSA-J
norman_susdat_id: NS00092371
name:
Tetrasodium 5-[[4'-[[8-[[2,4-dihydroxy-3-[(2-methoxy-5-sulphonatophenyl)azo]phenyl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C44H34N8O18S3.4Na/c1-68-35-13-7-25(71(59,60)61)19-31(35)49-51-40-34(54)12-10-30(42(40)55)48-50-32-20-26(72(62,63)64)14-23-17-38(73(65,66)67)41(43(56)39(23)32)52-47-29-9-5-22(16-37(29)70-3)21-4-8-28(36(15-21)69-2)46-45-24-6-11-33(53)27(18-24)44(57)58;;;;/h4-20,53-56H,1-3H3,(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S([O-])(=O)=O)cc(cc6N=Nc5ccc(O)c(N=Nc4cc(ccc4OC)S([O-])(=O)=O)c5O)S([O-])(=O)=O)c(OC)c7


cas: 93964-64-8
formula: C31H25N5O12S2.3Na
inchikey: PRXZWARDJLFFNO-UHFFFAOYSA-K
norman_susdat_id: NS00091657
name:
Trisodium 5-[[4'-[(8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C31H25N5O12S2.3Na/c1-47-25-10-15(3-6-22(25)34-33-18-5-8-24(37)20(13-18)31(39)40)16-4-7-23(26(11-16)48-2)35-36-29-27(50(44,45)46)12-17-9-19(49(41,42)43)14-21(32)28(17)30(29)38;;;/h3-14,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)c(OC)c5


cas: 93964-65-9
chemspiderid: 21166319
dtxsid: DTXSID40239998
formula: C30H22Cl2N4O8S2
inchikey: AGSDLBDGIVXKLJ-UHFFFAOYSA-N
norman_susdat_id: NS00039815
pubchem_cid: 44153938
smiles: OS(=O)(=O)c1cc(NC2=C(Cl)C(=O)C(Nc3ccc(Nc4ccccc4)c(S(O)(=O)=O)c3)=C(Cl)C2=O)ccc1Nc1ccccc1
name:
3,3'-((2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)diimino)bis(6-anilinobenzenesulphonic) acid

inchi:
InChI=1S/C30H22Cl2N4O8S2/c31-25-27(35-19-11-13-21(23(15-19)45(39,40)41)33-17-7-3-1-4-8-17)29(37)26(32)28(30(25)38)36-20-12-14-22(24(16-20)46(42,43)44)34-18-9-5-2-6-10-18/h1-16,33-36H,(H,39,40,41)(H,42,43,44)


cas: 93964-66-0
formula: C30H22Cl2N4O8S2.2Na
inchikey: YTFYEBPKWQPHLF-UHFFFAOYSA-L
norman_susdat_id: NS00092387
name:
Disodium 3,3'-[(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)diimino]bis[6-anilinobenzenesulphonate]

inchi:
InChI=1/C30H22Cl2N4O8S2.2Na/c31-25-27(35-19-11-13-21(23(15-19)45(39,40)41)33-17-7-3-1-4-8-17)29(37)26(32)28(30(25)38)36-20-12-14-22(24(16-20)46(42,43)44)34-18-9-5-2-6-10-18;;/h1-16,33-36H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]S(=O)(=O)c1cc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccc(Nc4ccccc4)c(c3)S(=O)(=O)[O-])ccc1Nc5ccccc5


name: Tetrasodium dihydrogen anthracene-1,4,5,8,9,10-hexolate
cas: 93964-67-1
dtxsid: DTXSID00240000
formula: C14H10O6
inchikey: QDJIQFLYDMUMAG-UHFFFAOYSA-H
norman_susdat_id: NS00063419
pubchem_cid: 95731
smiles: [Na+].[Na+].[Na+].[Na+].[O-]C1=CC=C([O-])C=2C([O-])=C3C([O-])=CC=C([O-])C3=C([O-])C12
inchi:
InChI=1/C14H10O6.4Na/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20;;;;/h1-4,15-20H;;;;/q;4*+1/p-6


name: 3-(5-dibenzylamino-2-methoxyphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]phthalide
cas: 93964-68-2
dtxsid: DTXSID90916823
formula: C39H38N2O4
inchikey: BPJOLTSOXBQBAZ-UHFFFAOYSA-N
norman_susdat_id: NS00063976
pubchem_cid: 44153834
smiles: O=C1OC(C2=CC=C(C=C2O)N(CC)CC)(C=3C=CC=CC13)C4=CC(=CC=C4OC)N(CC=5C=CC=CC5)CC=6C=CC=CC6
inchi:
InChI=1/C39H38N2O4/c1-4-40(5-2)31-20-22-34(36(42)25-31)39(33-19-13-12-18-32(33)38(43)45-39)35-24-30(21-23-37(35)44-3)41(26-28-14-8-6-9-15-28)27-29-16-10-7-11-17-29/h6-25,42H,4-5,26-27H2,1-3H3


name: N-[(benzyloxy)carbonyl]-L-alanine succinic anhydride
cas: 93964-71-7
formula: C15H17NO7
inchikey: SKMWRJWXDYRWIN-QRPNPIFTSA-N
norman_susdat_id: NS00091658
smiles: C[C@H](NC(=O)OCc1ccccc1)C(=O)O.O=C2CCC(=O)O2
inchi:
InChI=1/C11H13NO4.C4H4O3/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9;5-3-1-2-4(6)7-3/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14);1-2H2


name: N5-(Aminocarbonyl)-N2-formyl-L-ornithine
cas: 93964-74-0
chemspiderid: 21166327
dtxsid: DTXSID60240001
formula: C7H13N3O4
inchikey: ZKAPYXOGIYHULU-YFKPBYRVSA-N
norman_susdat_id: NS00039816
pubchem_cid: 44152047
smiles: NC(=O)NCCC[C@@H](NC=O)C(=O)O
inchi:
InChI=1S/C7H13N3O4/c8-7(14)9-3-1-2-5(6(12)13)10-4-11/h4-5H,1-3H2,(H,10,11)(H,12,13)(H3,8,9,14)/t5-/m1/s1


name: N2-Formyl-L-arginine
cas: 93964-76-2
chemspiderid: 18561788
dtxsid: DTXSID80240003
formula: C7H14N4O3
inchikey: MBDCBOQSTZRKJP-YFKPBYRVSA-N
norman_susdat_id: NS00039818
pubchem_cid: 18606289
smiles: NC(=N)NCCC[C@H](NC=O)C(=O)O
inchi:
InChI=1S/C7H14N4O3/c8-7(9)10-3-1-2-5(6(13)14)11-4-12/h4-5H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t5-/m0/s1


name: 4-[(2-chloro-4-nitrophenyl)azo]-N-[2-(dodecyloxy)ethyl]-N-ethyl-aniline
cas: 93964-88-6
formula: C28H42ClN4O3
inchikey: AECRWDRUAXJGIE-UHFFFAOYSA-N
norman_susdat_id: NS00064000
pubchem_cid: 3023118
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCOCCCCCCCCCCCC)C(Cl)=C1
inchi:
InChI=1/C28H41ClN4O3/c1-3-5-6-7-8-9-10-11-12-13-21-36-22-20-32(4-2)25-16-14-24(15-17-25)30-31-28-19-18-26(33(34)35)23-27(28)29/h14-19,23H,3-13,20-22H2,1-2H3


name: N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[(4-nitrophenyl)azo]aniline
cas: 93964-89-7
formula: C28H43N4O3
inchikey: HPYDMCBDLHYDQV-UHFFFAOYSA-N
norman_susdat_id: NS00064828
pubchem_cid: 3023119
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCOCCCCCCCCCCCC)C=C1
inchi:
InChI=1/C28H42N4O3/c1-3-5-6-7-8-9-10-11-12-13-23-35-24-22-31(4-2)27-18-14-25(15-19-27)29-30-26-16-20-28(21-17-26)32(33)34/h14-21H,3-13,22-24H2,1-2H3


name: N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[(2-mesyl-4-nitrophenyl)azo]aniline
cas: 93964-90-0
formula: C29H45N4O5S
inchikey: RKBNMTZAMLNIGP-UHFFFAOYSA-N
norman_susdat_id: NS00063637
pubchem_cid: 3023120
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCOCCCCCCCCCCCC)C(=C1)S(=O)(=O)C
inchi:
InChI=1/C29H44N4O5S/c1-4-6-7-8-9-10-11-12-13-14-22-38-23-21-32(5-2)26-17-15-25(16-18-26)30-31-28-20-19-27(33(34)35)24-29(28)39(3,36)37/h15-20,24H,4-14,21-23H2,1-3H3


name: 2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one, sodium salt
cas: 93964-91-1
formula: C16H13N5O4.Na
inchikey: YFCMHYSUOAGZRL-UHFFFAOYSA-N
norman_susdat_id: NS00092389
smiles: [Na+].[O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)cc3
inchi:
InChI=1/C16H13N5O4.Na/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h2-9,15,22H,1H3;/q;+1


cas: 93965-01-6
formula: C24H28BrClN6O10
inchikey: FNKHTULLWWVLBC-UHFFFAOYSA-N
norman_susdat_id: NS00064020
pubchem_cid: 3023122
smiles: O=C(OCCN(C1=CC(NC(=O)C)=C(N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=C1OCC)CCOC(=O)CCl)C
name:
2-[[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl][2-(acetyloxy)ethyl]amino]ethyl chloroacetate

inchi:
InChI=1/C24H26BrClN6O10/c1-4-40-22-12-19(28-29-24-17(25)9-16(31(36)37)10-21(24)32(38)39)18(27-14(2)33)11-20(22)30(5-7-41-15(3)34)6-8-42-23(35)13-26/h9-12H,4-8,13H2,1-3H3,(H,27,33)


cas: 93965-03-8
dtxsid: DTXSID80240008
formula: C38H48N12O15S3
inchikey: JMCFVQSJWOCQQQ-UHFFFAOYSA-M
norman_susdat_id: NS00064886
pubchem_cid: NA
name:
Benzenesulfonic acid, 5-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-, sodium salt, compd. with 2,2'-iminobis[ethanol]

inchi:
InChI=1/C38H48N12O15S3.C4H11NO2.Na/c51-17-11-48(12-18-52)36-43-33(39-27-7-9-30(10-8-27)66(57,58)59)42-34(44-36)40-28-5-3-25(31(23-28)67(60,61)62)1-2-26-4-6-29(24-32(26)68(63,64)65)41-35-45-37(49(13-19-53)14-20-54)47-38(46-35)50(15-21-55)16-22-56;6-3-1-5-2-4-7;/h1-10,23-24,51-56H,11-22H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,41,45,46,47)(H2,39,40,42,43,44);5-7H,1-4H2;/q;;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NC3=NC(=NC(=N3)N(CCO)CCO)NC4=CC=C(C=C4)S(=O)(=O)O)NC=5N=C(N=C(N5)N(CCO)CCO)N(CCO)CCO.OCCNCCO


cas: 93965-05-0
formula: C23H21Cl2N9O11S3
inchikey: UILLTFJCPXLGON-UHFFFAOYSA-N
norman_susdat_id: NS00064021
pubchem_cid: 11971076
name:
2-[[4-chloro-6-morpholino-1,3,5-triazin-2-yl]amino]-5-[[1-(2-chloro-5-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonic acid

inchi:
InChI=1/C23H21Cl2N9O11S3/c1-11-19(20(35)34(32-11)16-8-12(46(36,37)38)2-3-13(16)24)31-30-15-10-17(47(39,40)41)14(9-18(15)48(42,43)44)26-22-27-21(25)28-23(29-22)33-4-6-45-7-5-33/h2-3,8-10,19H,4-7H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,26,27,28,29)

smiles:
O=C1N(N=C(C)C1N=NC=2C=C(C(=CC2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)N4CCOCC4)S(=O)(=O)O)C5=CC(=CC=C5Cl)S(=O)(=O)O


name: 1-[2-[[4-[[2-chloro-4-(methylsulphonyl)phenyl]azo]phenyl]ethylamino]ethyl]pyridinium chloride
cas: 93965-06-1
formula: C22H24ClN4O2S
inchikey: YCFZHGGVBQCRHG-UHFFFAOYSA-M
norman_susdat_id: NS00064887
pubchem_cid: 44147878
smiles: [Cl-].O=S(=O)(C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC[N+]=3C=CC=CC3)C(Cl)=C1)C
inchi:
InChI=1/C22H24ClN4O2S.ClH/c1-3-27(16-15-26-13-5-4-6-14-26)19-9-7-18(8-10-19)24-25-22-12-11-20(17-21(22)23)30(2,28)29;/h4-14,17H,3,15-16H2,1-2H3;1H/q+1;/p-1


cas: 93965-07-2
dtxsid: DTXSID60916815
formula: C49H21N3O7
inchikey: JIIUZUPIKVBRLN-UHFFFAOYSA-N
norman_susdat_id: NS00063438
pubchem_cid: NA
name:
N-(5,6,7,12,17,22,23,24-octahydro-5,7,12,17,22,24-hexaoxonaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazol-1-yl)benzamide

inchi:
InChI=1/C49H21N3O7/c53-43-22-11-4-6-13-24(22)45(55)35-29(43)19-17-26-33-34-27-18-20-30-36(46(56)25-14-7-5-12-23(25)44(30)54)40(27)52-42(34)38-37(41(33)51-39(26)35)47(57)28-15-8-16-31(32(28)48(38)58)50-49(59)21-9-2-1-3-10-21/h1-20H,(H,50,59)

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C4=NC=5C(=CC=C6C(=O)C=7C=CC=CC7C(=O)C56)C4=C8C(=NC9=C8C=CC=%10C(=O)C=%11C=CC=CC%11C(=O)C9%10)C3C(=O)C12)C=%12C=CC=CC%12


name: Dibekacin bis(sulphate)
cas: 93965-12-9
formula: C18H37N5O8.2H2O4S
inchikey: YCYKGZPMQKHUBU-UHBFEBJOSA-N
norman_susdat_id: NS00091758
inchi:
InChI=1/C18H37N5O8.2H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;2*1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;2*(H2,1,2,3,4)

smiles:
NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.OS(=O)(=O)O.OS(=O)(=O)O


name: 4-benzoyl-2-hydroxy-1,3-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
cas: 93965-14-1
dtxsid: DTXSID40916813
formula: C33H20N4O10S2
inchikey: HUJVGNAYDTWWKS-UHFFFAOYSA-N
norman_susdat_id: NS00064022
pubchem_cid: NA
inchi:
InChI=1/C33H18N4O10S2/c34-36-24-15-12-19-21(30(24)39)8-4-10-27(19)48(42,43)46-26-17-14-23(29(38)18-6-2-1-3-7-18)33(32(26)41)47-49(44,45)28-11-5-9-22-20(28)13-16-25(37-35)31(22)40/h1-17,41H

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC3=CC=C(C(=O)C=4C=CC=CC4)C(OS(=O)(=O)C=5C=CC=C6C(=O)C(=[N+]=[N-])C=CC65)=C3O)C1=O


name: 2,2-Bis(((1-oxoallyl)oxy)methyl)butyl aziridine-1-propionate
cas: 93965-18-5
chemspiderid: 21166346
dtxsid: DTXSID10240016
formula: C17H25N1O6
inchikey: DKODUJNNJQIUOC-UHFFFAOYSA-N
norman_susdat_id: NS00039822
pubchem_cid: 44146535
smiles: CCC(COC(=O)CCN1CC1)(COC(=O)C=C)COC(=O)C=C
inchi:
InChI=1S/C17H25NO6/c1-4-14(19)22-11-17(6-3,12-23-15(20)5-2)13-24-16(21)7-8-18-9-10-18/h4-5H,1-2,6-13H2,3H3


name: 3-Hydroxy-2,2-bis(((1-oxoallyl)oxy)methyl)propyl aziridine-1-propionate
cas: 93965-20-9
chemspiderid: 21166348
dtxsid: DTXSID70240017
formula: C16H23N1O7
inchikey: GVBDDZNAFQDZPW-UHFFFAOYSA-N
norman_susdat_id: NS00039823
pubchem_cid: 44147936
smiles: OCC(COC(=O)CCN1CC1)(COC(=O)C=C)COC(=O)C=C
inchi:
InChI=1S/C16H23NO7/c1-3-13(19)22-10-16(9-18,11-23-14(20)4-2)12-24-15(21)5-6-17-7-8-17/h3-4,18H,1-2,5-12H2


name: Lead bis(tricosanoate)
cas: 93966-37-1
formula: C23H46O2.xPb
inchikey: FWAPEZRZBHZVPF-UHFFFAOYSA-N
norman_susdat_id: NS00091647
smiles: [Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H46O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;;;/h2-22H2,1H3,(H,24,25);;;/q;+4;;/rC23H46O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2-22H2,1H3,(H,24,25);1H2/q;+4


name: Lead tetracosanoate
cas: 93966-38-2
formula: C24H48O2.xPb
inchikey: OVESEBKJNXVNGZ-UHFFFAOYSA-N
norman_susdat_id: NS00092135
smiles: [Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H48O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;;;/h2-23H2,1H3,(H,25,26);;;/q;+4;;/rC24H48O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);1H2/q;+4


name: (1)(1alpha,2alpha,5beta)-5-Methyl-2-(1-methylethyl)cyclohexyl salicylate
cas: 93966-39-3
chemspiderid: 57523521
dtxsid: DTXSID70240032
formula: C17H26O3
inchikey: HHJUQKQNWTWFHP-DVJFUJMWSA-M
norman_susdat_id: NS00039824
pubchem_cid: 44150734
smiles: CC(C)[C@@H]1CC[C@@H](C)CC1[C@@]1(CC=CC=C1O)C([O-])=O
inchi:
InChI=1S/C17H26O3/c1-11(2)13-8-7-12(3)10-14(13)17(16(19)20)9-5-4-6-15(17)18/h4-6,11-14,18H,7-10H2,1-3H3,(H,19,20)/t12-,13+,14-,17-/m1/s1


name: 5-oxo-L-proline, compound with N-benzyl-1-methyl-N-phenylpiperidin-4-amine (2:1)
cas: 93966-41-7
formula: C19H24N2.2C5H7NO3
inchikey: DTJBFLLGECANOS-YHUPNWGDSA-N
norman_susdat_id: NS00092136
smiles: CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3.OC(=O)[C@@H]4CCC(=O)N4.OC(=O)[C@@H]5CCC(=O)N5
inchi:
InChI=1/C19H24N2.2C5H7NO3/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;2*7-4-2-1-3(6-4)5(8)9/h2-11,19H,12-16H2,1H3;2*3H,1-2H2,(H,6,7)(H,8,9)


name: Hexadecyl octadecyl (R-(R*,R*))-tartrate
cas: 93966-44-0
chemspiderid: 34997640
dtxsid: DTXSID10240036
formula: C38H74O6
inchikey: NYXFVOZKEYOALB-LQFQNGICSA-N
norman_susdat_id: NS00039825
pubchem_cid: 44148745
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C(O)C(O)C(=O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H74O6/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-44-38(42)36(40)35(39)37(41)43-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3/t35-,36+/m0/s1


name: Undecanoic acid, compound with piperazine-1,4-diethanol (1:1)
cas: 93966-46-2
formula: C11H22O2.C8H18N2O2
inchikey: ITKVGBFRLBEJNU-UHFFFAOYSA-N
norman_susdat_id: NS00092137
smiles: CCCCCCCCCCC(=O)O.OCCN1CCN(CCO)CC1
inchi:
InChI=1/C11H22O2.C8H18N2O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;11-7-5-9-1-2-10(4-3-9)6-8-12/h2-10H2,1H3,(H,12,13);11-12H,1-8H2


name: Undecanoic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)
cas: 93966-48-4
formula: C11H22O2.C4H11NO
inchikey: MDUQTNIJSFJASR-UHFFFAOYSA-N
norman_susdat_id: NS00091660
smiles: CCCCCCCCCCC(=O)O.CC(C)(N)CO
inchi:
InChI=1/C11H22O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-4(2,5)3-6/h2-10H2,1H3,(H,12,13);6H,3,5H2,1-2H3


name: Cinnamic acid, compound with 1,1'-iminodi(propan-2-ol) (1:1)
cas: 93966-50-8
formula: C9H8O2.C6H15NO2
inchikey: AVLSZIPLCZOKMQ-UHDJGPCESA-N
norman_susdat_id: NS00091394
smiles: CC(O)CNCC(C)O.OC(=O)\C=C\c1ccccc1
inchi:
InChI=1/C9H8O2.C6H15NO2/c10-9(11)7-6-8-4-2-1-3-5-8;1-5(8)3-7-4-6(2)9/h1-7H,(H,10,11);5-9H,3-4H2,1-2H3


cas: 93966-52-0
formula: C21H26ClN3O3S.CH2O2
inchikey: IDBCGDXVDSEEAH-UHFFFAOYSA-N
norman_susdat_id: NS00091661
smiles: CN(C)CCOCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O
name:
Formic acid, compound with [2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]ethyl]dimethylamine (1:1)

inchi:
InChI=1/C21H26ClN3O3S.CH2O2/c1-24(2)13-14-28-15-16-29(26,27)20-9-7-19(8-10-20)25-12-11-21(23-25)17-3-5-18(22)6-4-17;2-1-3/h3-10H,11-16H2,1-2H3;1H,(H,2,3)


name: 2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl acetate
cas: 93966-53-1
chemspiderid: 2289423
dtxsid: DTXSID20240042
formula: C19H19Cl1N2O4S1
inchikey: QOVJRYWDAQMLJD-UHFFFAOYSA-N
norman_susdat_id: NS00039826
pubchem_cid: 3023126
smiles: CC(=O)OCCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C19H19ClN2O4S/c1-14(23)26-12-13-27(24,25)18-8-6-17(7-9-18)22-11-10-19(21-22)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3


name: 4,5-dihydro-1-methyl-1-[3-[(1-oxotetradecyl)amino]propyl]-2-tridecyl-1H-imidazolium methyl sulphate
cas: 93966-56-4
dtxsid: DTXSID90916808
formula: C34H68N3O
inchikey: MBFBWPDVJGSJNH-UHFFFAOYSA-N
norman_susdat_id: NS00062938
pubchem_cid: 44151833
smiles: O=C(NCCC[N+]1(C(=NCC1)CCCCCCCCCCCCC)C)CCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C34H67N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-27-33-35-30-32-37(33,3)31-26-29-36-34(38)28-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-32H2,1-3H3;1H3,(H,2,3,4)


name: 1-[[4-[(4-aminophenyl)methyl]phenyl]amino]-3-butoxypropan-2-ol
cas: 93966-58-6
dtxsid: DTXSID30916807
formula: C20H28N2O2
inchikey: HBHGSQLFKAKHML-UHFFFAOYSA-N
norman_susdat_id: NS00063155
pubchem_cid: 3023127
smiles: OC(COCCCC)CNC1=CC=C(C=C1)CC2=CC=C(N)C=C2
inchi:
InChI=1/C20H28N2O2/c1-2-3-12-24-15-20(23)14-22-19-10-6-17(7-11-19)13-16-4-8-18(21)9-5-16/h4-11,20,22-23H,2-3,12-15,21H2,1H3


name: Bis[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl] azelate
cas: 93966-60-0
formula: C41H48Cl2N8O8
inchikey: UJECUQTYPLKBCF-UHFFFAOYSA-N
norman_susdat_id: NS00063156
pubchem_cid: 44150614
inchi:
InChI=1/C41H46Cl2N8O8/c1-3-48(32-16-12-30(13-17-32)44-46-38-22-20-34(50(54)55)28-36(38)42)24-26-58-40(52)10-8-6-5-7-9-11-41(53)59-27-25-49(4-2)33-18-14-31(15-19-33)45-47-39-23-21-35(51(56)57)29-37(39)43/h12-23,28-29H,3-11,24-27H2,1-2H3

smiles:
O=C(OCCN(C1=CC=C(N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C=C1)CC)CCCCCCCC(=O)OCCN(C3=CC=C(N=NC4=CC=C(C=C4Cl)[N+](=O)[O-])C=C3)CC


name: Bis[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl] azelate
cas: 93966-61-1
formula: C43H48N10O8
inchikey: YLWIETZZQDBSBW-UHFFFAOYSA-N
norman_susdat_id: NS00064441
pubchem_cid: 44145232
inchi:
InChI=1/C43H46N10O8/c1-3-50(36-16-12-34(13-17-36)46-48-40-22-20-38(52(56)57)28-32(40)30-44)24-26-60-42(54)10-8-6-5-7-9-11-43(55)61-27-25-51(4-2)37-18-14-35(15-19-37)47-49-41-23-21-39(53(58)59)29-33(41)31-45/h12-23,28-29H,3-11,24-27H2,1-2H3

smiles:
N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2)N(CC)CCOC(=O)CCCCCCCC(=O)OCCN(C3=CC=C(N=NC4=CC=C(C=C4C#N)[N+](=O)[O-])C=C3)CC)[N+](=O)[O-]


name: Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl] azelate
cas: 93966-62-2
dtxsid: DTXSID10916805
formula: C39H46N6O4
inchikey: YFQBDOXXTMOVIJ-UHFFFAOYSA-N
norman_susdat_id: NS00062958
pubchem_cid: 44152187
smiles: N#CC(C#N)=CC1=CC=C(C=C1C)N(CC)CCOC(=O)CCCCCCCC(=O)OCCN(C2=CC=C(C=C(C#N)C#N)C(=C2)C)CC
inchi:
InChI=1/C39H46N6O4/c1-5-44(36-16-14-34(30(3)22-36)24-32(26-40)27-41)18-20-48-38(46)12-10-8-7-9-11-13-39(47)49-21-19-45(6-2)37-17-15-35(31(4)23-37)25-33(28-42)29-43/h14-17,22-25H,5-13,18-21H2,1-4H3


name: 2'-Deoxy-N-(2-methyl-1-oxopropyl)-5'-O-(9-phenyl-9H-xanthen-9-yl)guanosine
cas: 93966-63-3
chemspiderid: 57270214
dtxsid: DTXSID80240043
formula: C33H31N5O6
inchikey: XOGFMGILOQRERI-HUROMRQRSA-N
norman_susdat_id: NS00039828
pubchem_cid: 56841333
smiles: CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COC3(c4ccccc4)c4ccccc4Oc4ccccc34)O2)c(=O)[nH]1
inchi:
InChI=1S/C33H31N5O6/c1-19(2)30(40)36-32-35-29-28(31(41)37-32)34-18-38(29)27-16-23(39)26(44-27)17-42-33(20-10-4-3-5-11-20)21-12-6-8-14-24(21)43-25-15-9-7-13-22(25)33/h3-15,18-19,23,26-27,39H,16-17H2,1-2H3,(H2,35,36,37,40,41)/t23-,26+,27+/m0/s1


name: 5'-O-(p,p'-Dimethoxytrityl)thymidine 3'-benzoate
cas: 93966-64-4
chemspiderid: 57428061
dtxsid: DTXSID40240044
formula: C38H36N2O8
inchikey: RSNZACKPHBOUCJ-LBFZIJHGSA-N
norman_susdat_id: NS00039829
pubchem_cid: 12112605
inchi:
InChI=1S/C38H36N2O8/c1-25-23-40(37(43)39-35(25)41)34-22-32(48-36(42)26-10-6-4-7-11-26)33(47-34)24-46-38(27-12-8-5-9-13-27,28-14-18-30(44-2)19-15-28)29-16-20-31(45-3)21-17-29/h4-21,23,32-34H,22,24H2,1-3H3,(H,39,41,43)/t32-,33+,34+/m0/s1

smiles:
COC1=CC=C(C=C1)C(OC[C@H]1O[C@H](C[C@@H]1OC(=O)C1=CC=CC=C1)N1C=C(C)C(=O)NC1=O)(C1=CC=CC=C1)C1=CC=C(OC)C=C1


name: Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium hydroxide
cas: 93966-68-8
formula: C23H25N2.HO
inchikey: KZXJXBAXWUEVIS-UHFFFAOYSA-M
norman_susdat_id: NS00092164
smiles: [OH-].CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3
inchi:
InChI=1/C23H25N2.H2O/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;/h5-17H,1-4H3;1H2/q+1;/p-1


name: 3,7-Bis(diethylamino)phenoxazin-5-ium hydroxide
cas: 93966-70-2
chemspiderid: 21166363
dtxsid: DTXSID50240050
formula: C20H26N3O2
inchikey: LSSWJMTZWUUZSB-UHFFFAOYSA-M
norman_susdat_id: NS00020722
pubchem_cid: 44152948
smiles: CCN(CC)c1cc2[o+]c3cc(cc([O-])c3nc2cc1)N(CC)CC
inchi:
InChI=1S/C20H26N3O2/c1-5-22(6-2)14-9-10-16-18(12-14)25-19-13-15(23(7-3)8-4)11-17(24)20(19)21-16/h9-13,24H,5-8H2,1-4H3/q+1


cas: 93966-71-3
formula: C33H40N3.HO
inchikey: LOYNTPTWRYDOHZ-UHFFFAOYSA-N
norman_susdat_id: NS00091400
smiles: [OH-].CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14
name:
[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide

inchi:
InChI=1/C33H39N3.H2O/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H2


name: 7-hydroxy-8-[[4-[(3-phosphonophenyl)azo]-2-sulphophenyl]azo]naphthalene-1,3-disulphonic acid
cas: 93966-72-4
formula: C22H17N4O13PS3
inchikey: HJBVBKCRIMMOCK-UHFFFAOYSA-N
norman_susdat_id: NS00091523
smiles: OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S(O)(=O)=O)S(O)(=O)=O)c(c4)S(O)(=O)=O
inchi:
InChI=1/C22H17N4O13PS3/c27-18-7-4-12-8-16(41(31,32)33)11-20(43(37,38)39)21(12)22(18)26-25-17-6-5-14(10-19(17)42(34,35)36)24-23-13-2-1-3-15(9-13)40(28,29)30/h1-11,27H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)


name: 1-[2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]-4-methylpyridinium hydroxide
cas: 93966-73-5
formula: C20H19ClN5O2.HO
inchikey: OXKZBIAIEVGEPD-UHFFFAOYSA-M
norman_susdat_id: NS00092165
smiles: [OH-].Cc3cc[n+](CCNc2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2Cl)cc3
inchi:
InChI=1/C20H19ClN5O2.H2O/c1-15-8-11-25(12-9-15)13-10-22-20-7-4-17(14-19(20)21)24-23-16-2-5-18(6-3-16)26(27)28;/h2-9,11-12,14,22H,10,13H2,1H3;1H2/q+1;/p-1


name: Lead pentadecanoate
cas: 93966-74-6
formula: C15H30O2.xPb
inchikey: QEBYPIJMSNLGDF-UHFFFAOYSA-N
norman_susdat_id: NS00092175
smiles: [Pb].OC(=O)CCCCCCCCCCCCCC
inchi:
InChI=1/C15H30O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;;;/h2-14H2,1H3,(H,16,17);;;/q;+4;;/rC15H30O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);1H2/q;+4


name: Magnesium pentadecanoate
cas: 93966-75-7
formula: C15H30O2.1/2Mg
inchikey: ZIUUUAJTAOQFCJ-UHFFFAOYSA-L
norman_susdat_id: NS00092176
smiles: [Mg+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C15H30O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2


name: Strontium pentadecanoate
cas: 93966-76-8
formula: C15H30O2.1/2Sr
inchikey: LKOJTCCIJYAVOR-UHFFFAOYSA-L
norman_susdat_id: NS00091662
smiles: [Sr+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C15H30O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2


name: 2-Butoxyethyl diisotridecyl phosphite
cas: 93980-56-4
chemspiderid: 34998390
dtxsid: DTXSID60240066
formula: C32H67O4P1
inchikey: ZUQJURLNMGWWFZ-UHFFFAOYSA-N
norman_susdat_id: NS00039832
pubchem_cid: 44146517
smiles: CCCCOCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C32H67O4P/c1-6-7-26-33-29-30-36-37(34-27-22-18-14-10-8-12-16-20-24-31(2)3)35-28-23-19-15-11-9-13-17-21-25-32(4)5/h31-32H,6-30H2,1-5H3


name: Sorbitan, mono(2-hydroxypropanoate)
cas: 93980-57-5
chemspiderid: 34998756
dtxsid: DTXSID20240067
formula: C9H16O7
inchikey: SKJOWOZGYVXACQ-XUQKIGAKSA-N
norman_susdat_id: NS00039833
pubchem_cid: 44153011
smiles: CC(O)C(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
inchi:
InChI=1S/C9H16O7/c1-4(11)9(14)16-6(2-10)8-7(13)5(12)3-15-8/h4-8,10-13H,2-3H2,1H3/t4-,5-,6+,7+,8+/m0/s1


name: Sorbitan, didocosanoate
cas: 93980-58-6
chemspiderid: 52563543
dtxsid: DTXSID80240068
formula: C50H96O7
inchikey: XLHKBKPYBHLCTJ-NEWJQEBSSA-N
norman_susdat_id: NS00039834
pubchem_cid: 44152016
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C50H96O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(53)56-46(43-51)50-49(45(52)44-55-50)57-48(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-52H,3-44H2,1-2H3/t45-,46+,49+,50+/m0/s1


name: Sorbitan, tridocosanoate
cas: 93980-59-7
chemspiderid: 34998760
dtxsid: DTXSID40240069
formula: C72H138O8
inchikey: XUUYBJNPVCJVFA-WMGILXABSA-N
norman_susdat_id: NS00039835
pubchem_cid: 44148851
inchi:
InChI=1S/C72H138O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-68(74)78-66(64-73)71-72(80-70(76)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)67(65-77-71)79-69(75)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66-67,71-73H,4-65H2,1-3H3/t66-,67+,71-,72-/m1/s1

smiles:
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCCCCCCCC


name: Docosyl dihydrogen citrate
cas: 93980-60-0
dtxsid: DTXSID80916791
formula: C28H52O7
inchikey: NAZHSSDKCGVJMJ-UHFFFAOYSA-N
norman_susdat_id: NS00064462
pubchem_cid: 44144718
smiles: O=C(O)CC(O)(C(=O)O)CC(=O)OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-26(31)24-28(34,27(32)33)23-25(29)30/h34H,2-24H2,1H3,(H,29,30)(H,32,33)


name: Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
cas: 93980-61-1
dtxsid: DTXSID20916790
formula: C20H36O7
inchikey: AINUDUZWTSLGMN-UHFFFAOYSA-N
norman_susdat_id: NS00063176
pubchem_cid: 44144973
smiles: O=C(O)CC(O)(C(=O)O)CC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/C20H36O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-18(23)16-20(26,19(24)25)15-17(21)22/h26H,2-16H2,1H3,(H,21,22)(H,24,25)


name: Octyl (R)-12-hydroxyoleate
cas: 93980-66-6
formula: C26H50O3
inchikey: ZMAFZZRHIFKNLZ-MBWFWJJQSA-N
norman_susdat_id: NS00063002
pubchem_cid: 20837986
smiles: O=C(OCCCCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C26H50O3/c1-3-5-7-9-16-20-24-29-26(28)23-19-15-13-11-10-12-14-18-22-25(27)21-17-8-6-4-2/h14,18,25,27H,3-13,15-17,19-24H2,1-2H3


name: Decyl (R)-12-hydroxyoleate
cas: 93980-67-7
formula: C28H54O3
inchikey: TXWLKCGKLFGYNO-VNMNUEHBSA-N
norman_susdat_id: NS00063446
pubchem_cid: 20837987
smiles: O=C(OCCCCCCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C28H54O3/c1-3-5-7-9-10-15-18-22-26-31-28(30)25-21-17-14-12-11-13-16-20-24-27(29)23-19-8-6-4-2/h16,20,27,29H,3-15,17-19,21-26H2,1-2H3


name: Dodecyl (R)-12-hydroxyoleate
cas: 93980-68-8
formula: C30H58O3
inchikey: RAPSKERQUJHWAM-HYTUOHKXSA-N
norman_susdat_id: NS00063447
pubchem_cid: 20837988
smiles: O=C(OCCCCCCCCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C30H58O3/c1-3-5-7-9-10-11-14-17-20-24-28-33-30(32)27-23-19-16-13-12-15-18-22-26-29(31)25-21-8-6-4-2/h18,22,29,31H,3-17,19-21,23-28H2,1-2H3


name: Tetradecyl (R)-12-hydroxyoleate
cas: 93980-69-9
formula: C32H62O3
inchikey: GQWLAPWFOPKVEJ-NITRKBDNSA-N
norman_susdat_id: NS00063448
pubchem_cid: 20837989
smiles: O=C(OCCCCCCCCCCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C32H62O3/c1-3-5-7-9-10-11-12-13-16-19-22-26-30-35-32(34)29-25-21-18-15-14-17-20-24-28-31(33)27-23-8-6-4-2/h20,24,31,33H,3-19,21-23,25-30H2,1-2H3


name: Octadecyl (R)-12-hydroxyoleate
cas: 93980-70-2
formula: C36H70O3
inchikey: PHVQRWNQGOIZLC-YZPCPXFJSA-N
norman_susdat_id: NS00063206
pubchem_cid: 20837990
smiles: O=C(OCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C36H70O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-39-36(38)33-29-25-22-19-18-21-24-28-32-35(37)31-27-8-6-4-2/h24,28,35,37H,3-23,25-27,29-34H2,1-2H3


name: Docosyl (R)-12-hydroxyoleate
cas: 93980-71-3
formula: C40H78O3
inchikey: ZZYZIGHSNONPPV-RLMMAFHGSA-N
norman_susdat_id: NS00063207
pubchem_cid: 53436564
smiles: O=C(OCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C40H78O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-30-34-38-43-40(42)37-33-29-26-23-22-25-28-32-36-39(41)35-31-8-6-4-2/h28,32,39,41H,3-27,29-31,33-38H2,1-2H3


name: N-[3-(octylamino)propyl]-D-gluconamide
cas: 93980-73-5
formula: C17H36N2O6
inchikey: LOMLQPJYXUWYEH-LVQVYYBASA-N
norman_susdat_id: NS00064490
pubchem_cid: 22861460
smiles: O=C(NCCCNCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C17H36N2O6/c1-2-3-4-5-6-7-9-18-10-8-11-19-17(25)16(24)15(23)14(22)13(21)12-20/h13-16,18,20-24H,2-12H2,1H3,(H,19,25)


name: N-[3-((Z)-octadec-9-en-1-ylamino)propyl]-D-gluconamide
cas: 93980-74-6
formula: C27H54N2O6
inchikey: LCRAWTITTNMLAM-JMFVFQDWSA-N
norman_susdat_id: NS00063004
pubchem_cid: 44144780
smiles: O=C(NCCCNCCCCCCCCC=CCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C27H54N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-20-18-21-29-27(35)26(34)25(33)24(32)23(31)22-30/h9-10,23-26,28,30-34H,2-8,11-22H2,1H3,(H,29,35)


name: N-D-Gluconoyl-L-aspartic acid
cas: 93980-75-7
chemspiderid: 31149905
dtxsid: DTXSID70240072
formula: C10H17N1O10
inchikey: JWOYEQRGXLRBSO-QNAHVNPOSA-N
norman_susdat_id: NS00039837
pubchem_cid: 44149922
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(O)=O
inchi:
InChI=1S/C10H17NO10/c12-2-4(13)6(16)7(17)8(18)9(19)11-3(10(20)21)1-5(14)15/h3-4,6-8,12-13,16-18H,1-2H2,(H,11,19)(H,14,15)(H,20,21)/t3-,4+,6+,7-,8+/m0/s1


name: Disodium 4-amino-5-hydroxy-6-[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 93980-77-9
formula: C16H13N4O9S2
inchikey: RPFYOGYELBEOTD-UHFFFAOYSA-L
norman_susdat_id: NS00063228
pubchem_cid: 135755746
smiles: [Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C=CC3=CC(=CC(N)=C3C2O)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C16H12N4O9S2.2Na/c17-11-7-10(30(24,25)26)5-8-1-3-13(16(21)15(8)11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: 2,3-bis(2-hydroxy-1-oxopropoxy)propyl palmitate
cas: 93980-78-0
dtxsid: DTXSID90916787
formula: C25H46O8
inchikey: VBXKJDLCCOSZKQ-UHFFFAOYSA-N
norman_susdat_id: NS00063005
pubchem_cid: 3023141
smiles: O=C(OCC(OC(=O)C(O)C)COC(=O)C(O)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C25H46O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)31-18-22(33-25(30)21(3)27)19-32-24(29)20(2)26/h20-22,26-27H,4-19H2,1-3H3


name: (4-methoxyphenyl)methyl laurate
cas: 93980-79-1
dtxsid: DTXSID30916786
formula: C20H32O3
inchikey: DRMAPFJISUWUEF-UHFFFAOYSA-N
norman_susdat_id: NS00064510
pubchem_cid: 3023142
smiles: O=C(OCC1=CC=C(OC)C=C1)CCCCCCCCCCC
inchi:
InChI=1/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-20(21)23-17-18-13-15-19(22-2)16-14-18/h13-16H,3-12,17H2,1-2H3


name: 2-hydroxy-3-[(1-oxooctyl)oxy]propyl decanoate
cas: 93980-84-8
dtxsid: DTXSID70916785
formula: C21H40O5
inchikey: AMRVOUCEFGMNBS-UHFFFAOYSA-N
norman_susdat_id: NS00063008
pubchem_cid: 16205909
smiles: O=C(OCC(O)COC(=O)CCCCCCCCC)CCCCCCC
inchi:
InChI=1/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-18-19(22)17-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3


name: Bis(2-butoxyethyl) isotridecyl phosphite
cas: 93980-87-1
chemspiderid: 34998392
dtxsid: DTXSID90240074
formula: C25H53O5P1
inchikey: RYURDQWGAMNEPN-UHFFFAOYSA-N
norman_susdat_id: NS00039839
pubchem_cid: 44145220
smiles: CCCCOCCOP(OCCCCCCCCCCC(C)C)OCCOCCCC
inchi:
InChI=1S/C25H53O5P/c1-5-7-18-26-21-23-29-31(30-24-22-27-19-8-6-2)28-20-16-14-12-10-9-11-13-15-17-25(3)4/h25H,5-24H2,1-4H3


name: N-[3-(octadecylamino)propyl]-D-gluconamide
cas: 93980-89-3
dtxsid: DTXSID50240075
formula: C27H56N2O6
inchikey: YZPULGLXVFIDSQ-FXSWLTOZSA-N
norman_susdat_id: NS00063449
pubchem_cid: 44147686
smiles: O=C(NCCCNCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C27H56N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-20-18-21-29-27(35)26(34)25(33)24(32)23(31)22-30/h23-26,28,30-34H,2-22H2,1H3,(H,29,35)


name: 2-[[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]amino]ethyl acetate
cas: 93980-92-8
formula: C19H21BrN6O8
inchikey: WHEBJADACRLPNW-UHFFFAOYSA-N
norman_susdat_id: NS00063451
pubchem_cid: 3023147
smiles: O=C(OCCNC1=CC(NC(=O)C)=C(N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=C1OC)C
inchi:
InChI=1/C19H19BrN6O8/c1-10(27)22-14-8-16(21-4-5-34-11(2)28)18(33-3)9-15(14)23-24-19-13(20)6-12(25(29)30)7-17(19)26(31)32/h6-9,21H,4-5H2,1-3H3,(H,22,27)


name: 2,4-Bis(2-methylphenoxy)-1-nitrobenzene
cas: 93980-94-0
chemspiderid: 2289441
dtxsid: DTXSID70240077
formula: C20H17N1O4
inchikey: AGUUXLHIEOFRGU-UHFFFAOYSA-N
norman_susdat_id: NS00039841
pubchem_cid: 3023149
smiles: Cc1c(Oc2cc(Oc3c(C)cccc3)c(cc2)[N+](=O)[O-])cccc1
inchi:
InChI=1S/C20H17NO4/c1-14-7-3-5-9-18(14)24-16-11-12-17(21(22)23)20(13-16)25-19-10-6-4-8-15(19)2/h3-13H,1-2H3


cas: 93980-98-4
formula: C21H24ClN7O12S3
inchikey: QNRKVKUHKXUIIN-UHFFFAOYSA-N
norman_susdat_id: NS00063025
pubchem_cid: NA
smiles: O=C1C(=C(C(N=NC=2C=C(C(=CC2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)OC(C)C)S(=O)(=O)O)=C(O)N1CC)C)CS(=O)(=O)O
name:
2-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl]azo]-benzene-1,4-disulphonic acid

inchi:
InChI=1/C21H24ClN7O12S3/c1-5-29-17(30)11(8-42(32,33)34)10(4)16(18(29)31)28-27-13-7-14(43(35,36)37)12(6-15(13)44(38,39)40)23-20-24-19(22)25-21(26-20)41-9(2)3/h6-7,9,31H,5,8H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,23,24,25,26)


cas: 93980-99-5
formula: C21H24ClN7O12S3.3Na
inchikey: PBKKSEYEAOSXJW-UHFFFAOYSA-K
norman_susdat_id: NS00091435
name:
Trisodium 2-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphonatomethyl)-3-pyridyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C21H24ClN7O12S3.3Na/c1-5-29-17(30)11(8-42(32,33)34)10(4)16(18(29)31)28-27-13-7-14(43(35,36)37)12(6-15(13)44(38,39)40)23-20-24-19(22)25-21(26-20)41-9(2)3;;;/h6-7,9,31H,5,8H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,23,24,25,26);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C3C(/CS([O-])(=O)=O)=C(/C)\C(\N=Nc2cc(c(Nc1nc(Cl)nc(OC(C)C)n1)cc2S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N3CC


name: 1-methyl-4-[(methylphenylhydrazono)methyl]pyridinium acetate
cas: 93981-00-1
formula: C14H16N3.C2H3O2
inchikey: ZLUHYKZBAAPWEH-UHFFFAOYSA-M
norman_susdat_id: NS00091558
smiles: [O-]C(C)=O.C[n+]2ccc(C=NN(C)c1ccccc1)cc2
inchi:
InChI=1/C14H16N3.C2H4O2/c1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-2(3)4/h3-12H,1-2H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-1H-imidazolium acetate
cas: 93981-01-2
formula: C13H18N5.C2H3O2
inchikey: HUHLSRZJJKTPBO-UHFFFAOYSA-N
norman_susdat_id: NS00091436
smiles: CN2/C=C\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.[O-]C(C)=O
inchi:
InChI=1/C13H19N5.C2H4O2/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-2(3)4/h5-10,13H,1-4H3;1H3,(H,3,4)


name: 6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate
cas: 93981-03-4
formula: C22H22ClN2O.C3H5O3
inchikey: JJMPGOGDFFODPP-UHFFFAOYSA-M
norman_susdat_id: NS00092198
smiles: CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Cl)c4cccc2c34.CC(O)C(=O)[O-]
inchi:
InChI=1/C22H22ClN2O.C3H6O3/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(4)3(5)6/h4-12,26H,3,13-14H2,1-2H3;2,4H,1H3,(H,5,6)/q+1;/p-1


name: [2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl]dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
cas: 93981-10-3
dtxsid: DTXSID60916774
formula: C44H89N2O4
inchikey: GLKMYDGRQJPSHD-UHFFFAOYSA-N
norman_susdat_id: NS00063051
pubchem_cid: 3023154
smiles: [Cl-].O=C(OCC(O)C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C44H88N2O4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-43(48)45-38-35-39-46(3,4)40-42(47)41-50-44(49)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h42,47H,5-41H2,1-4H3;1H


name: Trimagnesium bis[2,2',2''-[methylidynetris(thio)]trisacetate]
cas: 93981-11-4
formula: C7H10O6S3.3/2Mg
inchikey: IRRZUCQACRRTGE-UHFFFAOYSA-H
norman_susdat_id: NS00091577
smiles: [Mg+2].[Mg+2].[Mg+2].[O-]C(=O)CSC(SCC(=O)[O-])SCC(=O)[O-].[O-]C(=O)CSC(SCC(=O)[O-])SCC(=O)[O-]
inchi:
InChI=1/2C7H10O6S3.3Mg/c2*8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13;;;/h2*7H,1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;;3*+2/p-6


name: Diethyl allyl-2-cyclopenten-1-ylmalonate
cas: 93981-13-6
dtxsid: DTXSID40916772
formula: C15H22O4
inchikey: ZJKBNCDQDWUIOF-UHFFFAOYSA-N
norman_susdat_id: NS00063265
pubchem_cid: 15162980
smiles: O=C(OCC)C(C(=O)OCC)(CC=C)C1C=CCC1
inchi:
InChI=1/C15H22O4/c1-4-11-15(13(16)18-5-2,14(17)19-6-3)12-9-7-8-10-12/h4,7,9,12H,1,5-6,8,10-11H2,2-3H3


name: 3-[(3-methylthiazolidin-2-ylidene)methyl]-1H-isoindol-1-imine mono(toluene-4-sulphonate)
cas: 93981-16-9
formula: C13H13N3S
inchikey: JRIUPQDHOKFVKV-UHFFFAOYSA-N
norman_susdat_id: NS00063266
pubchem_cid: NA
smiles: O=S(=O)(O)C1=CC=C(C=C1)C.N=C1N=C(C=C2SCCN2C)C=3C=CC=CC13
inchi:
InChI=1/C13H13N3S.C7H8O3S/c1-16-6-7-17-12(16)8-11-9-4-2-3-5-10(9)13(14)15-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,8,14H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)


name: D-Gluconic acid, 6-ester with N,N-diisopropylglycine, monosodium salt
cas: 93981-18-1
chemspiderid: 57523529
dtxsid: DTXSID00240080
formula: C14H27N1O8
inchikey: XBXQEPCEJCWPKQ-HHBTZVFLSA-M
norman_susdat_id: NS00039842
pubchem_cid: 44150137
smiles: [Na+].CC(C)N(CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O)C(C)C
inchi:
InChI=1S/C14H27NO8/c1-7(2)15(8(3)4)5-10(17)23-6-9(16)11(18)12(19)13(20)14(21)22/h7-9,11-13,16,18-20H,5-6H2,1-4H3,(H,21,22)/t9-,11-,12-,13-/m0/s1


name: 4-(2-ethylhexyl) 1-(octadec-9-enyl) malate
cas: 93981-22-7
formula: C30H56O5
inchikey: SXJPEFGFOXWMFO-UHFFFAOYSA-N
norman_susdat_id: NS00063268
pubchem_cid: 3023157
smiles: O=C(OCC(CC)CCCC)CC(O)C(=O)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C30H56O5/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-34-30(33)28(31)25-29(32)35-26-27(6-3)23-8-5-2/h14-15,27-28,31H,4-13,16-26H2,1-3H3


name: N,N'-[1-carbamoylpentane-1,5-diyl]bis(octanamide)
cas: 93981-24-9
dtxsid: DTXSID50916768
formula: C22H43N3O3
inchikey: OLUQGPLKKJRACF-UHFFFAOYSA-N
norman_susdat_id: NS00064517
pubchem_cid: 44152661
smiles: O=C(NCCCCC(NC(=O)CCCCCCC)C(=O)N)CCCCCCC
inchi:
InChI=1/C22H43N3O3/c1-3-5-7-9-11-16-20(26)24-18-14-13-15-19(22(23)28)25-21(27)17-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,23,28)(H,24,26)(H,25,27)


name: 2,6-bis[(1-oxohexyl)amino]hexanamide
cas: 93981-25-0
dtxsid: DTXSID90916767
formula: C18H35N3O3
inchikey: KSSYXNYJPHPNLU-UHFFFAOYSA-N
norman_susdat_id: NS00062362
pubchem_cid: 3023158
smiles: O=C(NCCCCC(NC(=O)CCCCC)C(=O)N)CCCCC
inchi:
InChI=1/C18H35N3O3/c1-3-5-7-12-16(22)20-14-10-9-11-15(18(19)24)21-17(23)13-8-6-4-2/h15H,3-14H2,1-2H3,(H2,19,24)(H,20,22)(H,21,23)


name: Sodium hydrogen 2-[(1-oxododecyl)amino]-4-sulphonatobutyrate
cas: 93981-26-1
dtxsid: DTXSID30916766
formula: C16H31NO6S
inchikey: JUYOBAMWUSWJGB-UHFFFAOYSA-L
norman_susdat_id: NS00062640
pubchem_cid: 44146431
smiles: [Na+].O=C(NC(C(=O)[O-])CCS(=O)(=O)[O-])CCCCCCCCCCC
inchi:
InChI=1/C16H31NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14(16(19)20)12-13-24(21,22)23;/h14H,2-13H2,1H3,(H,17,18)(H,19,20)(H,21,22,23);/q;+1/p-2


name: Sodium 2,2'-ethylenebis[5-aminobenzenesulphonate]
cas: 93981-27-2
dtxsid: DTXSID70916765
formula: C14H16N2O6S2
inchikey: KYHFFJTYSXRBCO-UHFFFAOYSA-L
norman_susdat_id: NS00063817
pubchem_cid: 5134319
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC(N)=CC=C1CCC2=CC=C(N)C=C2S(=O)(=O)[O-]
inchi:
InChI=1/C14H16N2O6S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h3-8H,1-2,15-16H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate
cas: 93981-49-8
formula: C17H21NO2
inchikey: QVJHBJZLOUPGLB-UHFFFAOYSA-N
norman_susdat_id: NS00063846
pubchem_cid: 3023160
smiles: O=C(OC)C=1C=CC=CC1N=CC2(C)CCC=CC2C
inchi:
InChI=1/C17H21NO2/c1-13-8-6-7-11-17(13,2)12-18-15-10-5-4-9-14(15)16(19)20-3/h4-6,8-10,12-13H,7,11H2,1-3H3


name: (2,2-Bis(undecyloxy)ethyl)benzene
cas: 93981-52-3
chemspiderid: 2289451
dtxsid: DTXSID80240088
formula: C30H54O2
inchikey: FFSLFIYMXFVLQN-UHFFFAOYSA-N
norman_susdat_id: NS00039844
pubchem_cid: 3023162
smiles: CCCCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCCCC
inchi:
InChI=1S/C30H54O2/c1-3-5-7-9-11-13-15-17-22-26-31-30(28-29-24-20-19-21-25-29)32-27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25,30H,3-18,22-23,26-28H2,1-2H3


name: (2,2-Bis(nonyloxy)ethyl)benzene
cas: 93981-53-4
chemspiderid: 2289452
dtxsid: DTXSID40240089
formula: C26H46O2
inchikey: GUGANXZUIVXJBG-UHFFFAOYSA-N
norman_susdat_id: NS00039845
pubchem_cid: 3023163
smiles: CCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCC
inchi:
InChI=1S/C26H46O2/c1-3-5-7-9-11-13-18-22-27-26(24-25-20-16-15-17-21-25)28-23-19-14-12-10-8-6-4-2/h15-17,20-21,26H,3-14,18-19,22-24H2,1-2H3


name: (2,2-Bis(hexyloxy)ethyl)benzene
cas: 93981-54-5
chemspiderid: 2289453
dtxsid: DTXSID50240090
formula: C20H34O2
inchikey: LAWXVKVDOJTUAD-UHFFFAOYSA-N
norman_susdat_id: NS00039846
pubchem_cid: 3023164
smiles: CCCCCCOC(Cc1ccccc1)OCCCCCC
inchi:
InChI=1S/C20H34O2/c1-3-5-7-12-16-21-20(22-17-13-8-6-4-2)18-19-14-10-9-11-15-19/h9-11,14-15,20H,3-8,12-13,16-18H2,1-2H3


name: 5-oxo-L-proline, compound with (9S)-10,11-dihydro-6'-methoxycinchonan-9-ol (1:1)
cas: 93981-56-7
formula: C20H26N2O2.C5H7NO3
inchikey: NCNGEXPBYJDASD-ZONZYVCESA-N
norman_susdat_id: NS00091103
smiles: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.OC(=O)[C@@H]5CCC(=O)N5
inchi:
InChI=1/C20H26N2O2.C5H7NO3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-4-2-1-3(6-4)5(8)9/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: (E,E)-8,8-bis[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dimethyloctan-2-ol
cas: 93981-62-5
formula: C30H54O3
inchikey: HAECKZIOHXEQSO-BFNWXZRRSA-N
norman_susdat_id: NS00063847
pubchem_cid: 6366339
smiles: OC(C)(C)CCCC(C)CC(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
inchi:
InChI=1/C30H54O3/c1-24(2)13-10-15-26(5)18-21-32-29(23-28(7)17-12-20-30(8,9)31)33-22-19-27(6)16-11-14-25(3)4/h13-14,18-19,28-29,31H,10-12,15-17,20-23H2,1-9H3


name: 3-chloro-4-[[4-(diethylamino)-o-tolyl]azo]benzonitrile
cas: 93981-72-7
formula: C18H19ClN4
inchikey: XFWHVVCCAFALIU-UHFFFAOYSA-N
norman_susdat_id: NS00063849
pubchem_cid: 3023169
smiles: N#CC1=CC=C(N=NC2=CC=C(C=C2C)N(CC)CC)C(Cl)=C1
inchi:
InChI=1/C18H19ClN4/c1-4-23(5-2)15-7-9-17(13(3)10-15)21-22-18-8-6-14(12-20)11-16(18)19/h6-11H,4-5H2,1-3H3


name: 4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]-3-methoxybenzenesulphonamide
cas: 93981-74-9
formula: C11H11N5O6S
inchikey: ZRCWVQUZZWYZNH-UHFFFAOYSA-N
norman_susdat_id: NS00063850
pubchem_cid: 3023170
smiles: O=C1NC(=O)C(N=NC2=CC=C(C=C2OC)S(=O)(=O)N)C(=O)N1
inchi:
InChI=1/C11H11N5O6S/c1-22-7-4-5(23(12,20)21)2-3-6(7)15-16-8-9(17)13-11(19)14-10(8)18/h2-4,8H,1H3,(H2,12,20,21)(H2,13,14,17,18,19)


name: 2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
cas: 93981-75-0
chemspiderid: 17334098
dtxsid: DTXSID70240097
formula: C21H21N5O5S1
inchikey: BTDZVOVJIMUWLT-GHVJWSGMSA-N
norman_susdat_id: NS00039847
pubchem_cid: NA
smiles: CCN(CCOC(=O)CC(=O)C)c1ccc(cc1)N=Nc1c2cc(ccc2ns1)[N+](=O)[O-]
inchi:
InChI=1S/C21H21N5O5S/c1-3-25(10-11-31-20(28)12-14(2)27)16-6-4-15(5-7-16)22-23-21-18-13-17(26(29)30)8-9-19(18)24-32-21/h4-9,13H,3,10-12H2,1-2H3


name: 5,7-dichloro-2-(5-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
cas: 93981-76-1
formula: C16H7Cl3N2O2
inchikey: AGLUIPTUDICXMS-UHFFFAOYSA-N
norman_susdat_id: NS00062675
pubchem_cid: NA
smiles: O=C1C2=CC(Cl)=CC=C2NC1=C3NC=4C(Cl)=CC(Cl)=CC4C3=O
inchi:
InChI=1/C16H7Cl3N2O2/c17-6-1-2-11-8(3-6)15(22)13(20-11)14-16(23)9-4-7(18)5-10(19)12(9)21-14/h1-5,20-21H


cas: 93981-77-2
formula: C23H34N3O4
inchikey: JXYWVALEZIFNOS-DIRYEVLESA-M
norman_susdat_id: NS00062836
pubchem_cid: 6366341
smiles: [Cl-].N#CC(=CC1=CC=C(C=C1)N(CC)CC)C(=O)OCC[N+](C)(C)CCCOC(=O)C
name:
3-(acetoxy)propyl[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl]dimethylammonium chloride

inchi:
InChI=1/C23H34N3O4.ClH/c1-6-25(7-2)22-11-9-20(10-12-22)17-21(18-24)23(28)30-16-14-26(4,5)13-8-15-29-19(3)27;/h9-12,17H,6-8,13-16H2,1-5H3;1H/q+1;/p-1


cas: 93981-78-3
formula: C21H32N3O3
inchikey: AXTWRHHHMPIWSA-PXMDEAMVSA-M
norman_susdat_id: NS00062367
pubchem_cid: 6433020
smiles: [Cl-].N#CC(=CC1=CC=C(C=C1)N(CC)CC)C(=O)OCCC[N+](C)(C)CCO
name:
[3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyl](2-hydroxyethyl)dimethylammonium chloride

inchi:
InChI=1/C21H32N3O3.ClH/c1-5-23(6-2)20-10-8-18(9-11-20)16-19(17-22)21(26)27-15-7-12-24(3,4)13-14-25;/h8-11,16,25H,5-7,12-15H2,1-4H3;1H/q+1;/p-1


cas: 93981-79-4
formula: C21H32N3O3
inchikey: UISIXEXWWCLKSZ-PXMDEAMVSA-M
norman_susdat_id: NS00062368
pubchem_cid: 6366345
smiles: [Cl-].N#CC(=CC1=CC=C(C=C1)N(CC)CC)C(=O)OCC[N+](C)(C)CCCO
name:
[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl](3-hydroxypropyl)dimethylammonium chloride

inchi:
InChI=1/C21H32N3O3.ClH/c1-5-23(6-2)20-10-8-18(9-11-20)16-19(17-22)21(26)27-15-13-24(3,4)12-7-14-25;/h8-11,16,25H,5-7,12-15H2,1-4H3;1H/q+1;/p-1


name: Ethyl 12-oxo-12H-phthaloperinecarboxylate
cas: 93981-86-3
dtxsid: DTXSID00240101
formula: C21H14N2O3
inchikey: FCSWDHQIQLCTDU-UHFFFAOYSA-N
norman_susdat_id: NS00062884
pubchem_cid: 56841419
smiles: O=C(OCC)C=1C=CC=2C=CC=C3N=C4C=5C=CC=CC5C(=O)N4C1C32
inchi:
InChI=1/C21H14N2O3/c1-2-26-21(25)15-11-10-12-6-5-9-16-17(12)18(15)23-19(22-16)13-7-3-4-8-14(13)20(23)24/h3-11H,2H2,1H3


cas: 93981-89-6
formula: C23H34N3O4
inchikey: IRMHBQBEUOAISY-DIRYEVLESA-M
norman_susdat_id: NS00062422
pubchem_cid: 6433021
smiles: [Cl-].N#CC(=CC1=CC=C(C=C1)N(CC)CC)C(=O)OCCC[N+](C)(C)CCOC(=O)C
name:
[2-(acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride

inchi:
InChI=1/C23H34N3O4.ClH/c1-6-25(7-2)22-11-9-20(10-12-22)17-21(18-24)23(28)30-15-8-13-26(4,5)14-16-29-19(3)27;/h9-12,17H,6-8,13-16H2,1-5H3;1H/q+1;/p-1


name: N-phenylstearamide hydrochloride
cas: 93981-90-9
formula: C24H41NO.ClH
inchikey: WNUHMFCUYDJPFT-UHFFFAOYSA-N
norman_susdat_id: NS00091872
smiles: Cl.CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1
inchi:
InChI=1/C24H41NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23;/h16-18,20-21H,2-15,19,22H2,1H3,(H,25,26);1H


name: Ethylhexadecyldimethylammonium 2-tert-butylphenolate
cas: 93981-91-0
formula: C20H44N.C10H13O
inchikey: QDEUHIXAYJNYJY-UHFFFAOYSA-M
norman_susdat_id: NS00091373
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.CC(C)(C)c1ccccc1[O-]
inchi:
InChI=1/C20H44N.C10H14O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-10(2,3)8-6-4-5-7-9(8)11/h5-20H2,1-4H3;4-7,11H,1-3H3/q+1;/p-1


name: 1-methylethylene 2-ethylhexanoate
cas: 93981-97-6
chemspiderid: 10717550
formula: C19H36O4
inchikey: RYKSMKFLIHUEBL-UHFFFAOYSA-N
norman_susdat_id: NS00039851
pubchem_cid: 21960538
smiles: CCCCC(CC)C(=O)OCC(C)OC(=O)C(CC)CCCC
inchi:
InChI=1S/C19H36O4/c1-6-10-12-16(8-3)18(20)22-14-15(5)23-19(21)17(9-4)13-11-7-2/h15-17H,6-14H2,1-5H3/t15-,16-,17-/m1/s1


name: Decanoic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)
cas: 93981-98-7
formula: C10H20O2.C4H11NO
inchikey: DUFCRJWDEQYXHU-UHFFFAOYSA-N
norman_susdat_id: NS00091257
smiles: CCCCCCCCCC(=O)O.CC(C)(N)CO
inchi:
InChI=1/C10H20O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10(11)12;1-4(2,5)3-6/h2-9H2,1H3,(H,11,12);6H,3,5H2,1-2H3


name: (2-hydroxy-1,1-dimethylethyl)ammonium myristate
cas: 93981-99-8
formula: C14H28O2.C4H11NO
inchikey: YDFWQQHYMVACQJ-UHFFFAOYSA-N
norman_susdat_id: NS00091126
smiles: CCCCCCCCCCCCCC(=O)[O-].CC(C)([NH3+])CO
inchi:
InChI=1/C14H28O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4(2,5)3-6/h2-13H2,1H3,(H,15,16);6H,3,5H2,1-2H3


name: 2-tetradecyloctadecyl 2-hexyldecanoate
cas: 93982-00-4
dtxsid: DTXSID80916751
formula: C48H96O2
inchikey: IYAMYTGYXORBLO-UHFFFAOYSA-N
norman_susdat_id: NS00062885
pubchem_cid: 3023189
smiles: O=C(OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)C(CCCCCC)CCCCCCCC
inchi:
InChI=1/C48H96O2/c1-5-9-13-17-20-22-24-26-27-29-31-33-35-38-42-46(41-37-34-32-30-28-25-23-21-18-14-10-6-2)45-50-48(49)47(43-39-16-12-8-4)44-40-36-19-15-11-7-3/h46-47H,5-45H2,1-4H3


name: Octadecyl 2-hexyldecanoate
cas: 93982-01-5
dtxsid: DTXSID20916750
formula: C34H68O2
inchikey: SHINCAFTGSFLIN-UHFFFAOYSA-N
norman_susdat_id: NS00062707
pubchem_cid: 3023190
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C(CCCCCC)CCCCCCCC
inchi:
InChI=1/C34H68O2/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-24-26-29-32-36-34(35)33(30-27-12-9-6-3)31-28-25-14-11-8-5-2/h33H,4-32H2,1-3H3


name: Octyl 2-hexyldecanoate
cas: 93982-02-6
dtxsid: DTXSID10916749
formula: C24H48O2
inchikey: BMEOCUNQVBHWRZ-UHFFFAOYSA-N
norman_susdat_id: NS00063911
pubchem_cid: 3023191
smiles: O=C(OCCCCCCCC)C(CCCCCC)CCCCCCCC
inchi:
InChI=1/C24H48O2/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)24(25)26-22-19-16-14-11-8-5-2/h23H,4-22H2,1-3H3


name: [2-hydroxy-3-(naphthyloxy)propyl]isopropylammonium acetate
cas: 93982-03-7
formula: C16H21NO2.C2H4O2
inchikey: AAQCIMVFPOGSJU-UHFFFAOYSA-N
norman_susdat_id: NS00091127
smiles: CC(C)[NH2+]CC(O)COc1cccc2ccccc12.CC(=O)[O-]
inchi:
InChI=1/C16H21NO2.C2H4O2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2(3)4/h3-9,12,14,17-18H,10-11H2,1-2H3;1H3,(H,3,4)


name: (nonylphenyl) hydrogen succinate
cas: 93982-11-7
dtxsid: DTXSID90240115
formula: C19H28O4
inchikey: UESQDUJDKXPQAJ-UHFFFAOYSA-N
norman_susdat_id: NS00062708
pubchem_cid: 44153423
smiles: O=C(O)CCC(=O)OC=1C=CC=CC1CCCCCCCCC
inchi:
InChI=1/C19H28O4/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)23-19(22)15-14-18(20)21/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,21)


name: Bis(nonylphenyl) glutarate
cas: 93982-12-8
dtxsid: DTXSID50240116
formula: C35H52O4
inchikey: XOLPFCCYOWNLPE-UHFFFAOYSA-N
norman_susdat_id: NS00062424
pubchem_cid: 3023193
smiles: O=C(OC=1C=CC=CC1CCCCCCCCC)CCCC(=O)OC=2C=CC=CC2CCCCCCCCC
inchi:
InChI=1/C35H52O4/c1-3-5-7-9-11-13-15-22-30-24-17-19-26-32(30)38-34(36)28-21-29-35(37)39-33-27-20-18-25-31(33)23-16-14-12-10-8-6-4-2/h17-20,24-27H,3-16,21-23,28-29H2,1-2H3


name: Bis(nonylphenyl) succinate
cas: 93982-13-9
dtxsid: DTXSID10240117
formula: C34H50O4
inchikey: YXNPFNPHSYKAFN-UHFFFAOYSA-N
norman_susdat_id: NS00062425
pubchem_cid: 3023194
smiles: O=C(OC=1C=CC=CC1CCCCCCCCC)CCC(=O)OC=2C=CC=CC2CCCCCCCCC
inchi:
InChI=1/C34H50O4/c1-3-5-7-9-11-13-15-21-29-23-17-19-25-31(29)37-33(35)27-28-34(36)38-32-26-20-18-24-30(32)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-28H2,1-2H3


name: Nonylphenyl hydrogen adipate
cas: 93982-14-0
dtxsid: DTXSID70240118
formula: C21H32O4
inchikey: JTGBFUOKEMPUSH-UHFFFAOYSA-N
norman_susdat_id: NS00062722
pubchem_cid: 44152680
smiles: O=C(O)CCCCC(=O)OC=1C=CC=CC1CCCCCCCCC
inchi:
InChI=1/C21H32O4/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)25-21(24)17-12-11-16-20(22)23/h9-10,14-15H,2-8,11-13,16-17H2,1H3,(H,22,23)


name: (dodecylbenzyl)dimethyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium chloride
cas: 93982-15-1
dtxsid: DTXSID30916746
formula: C41H76NO2
inchikey: ZQBUISZDWUXTIA-UHFFFAOYSA-M
norman_susdat_id: NS00062886
pubchem_cid: NA
smiles: [Cl-].O=C(OCC[N+](C)(C)CC=1C=CC=CC1CCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C41H76NO2.ClH/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-35-41(43)44-37-36-42(3,4)38-40-34-31-30-33-39(40)32-28-26-24-22-16-14-12-10-8-6-2;/h30-31,33-34H,5-29,32,35-38H2,1-4H3;1H/q+1;/p-1


name: 4-Benzyl-7-(4-chlorobutoxy)-1,3-dihydro-6-methylfuro(3,4-c)pyridine
cas: 93982-16-2
chemspiderid: 21166401
dtxsid: DTXSID30240119
formula: C19H22Cl1N1O2
inchikey: IMKUBGIAGNRTLM-UHFFFAOYSA-N
norman_susdat_id: NS00039858
pubchem_cid: 44149553
smiles: Cc1c(OCCCCCl)c2c(COC2)c(Cc2ccccc2)n1
inchi:
InChI=1S/C19H22ClNO2/c1-14-19(23-10-6-5-9-20)17-13-22-12-16(17)18(21-14)11-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3


cas: 93982-17-3
formula: C22H30N2O2.ClH
inchikey: NDUAUQZNHSFJMY-UHFFFAOYSA-N
norman_susdat_id: NS00091374
smiles: Cl.CC(C)NCCCCOc1c(C)nc(Cc2ccccc2)c3COCc13
name:
4-[[1,3-dihydro-6-methyl-4-benzylfuro[3,4-c]pyridin-7-yl]oxy]-N-isopropylbutylamine monohydrochloride

inchi:
InChI=1/C22H30N2O2.ClH/c1-16(2)23-11-7-8-12-26-22-17(3)24-21(19-14-25-15-20(19)22)13-18-9-5-4-6-10-18;/h4-6,9-10,16,23H,7-8,11-15H2,1-3H3;1H


name: Nonylphenyl hydrogen glutarate
cas: 93982-18-4
dtxsid: DTXSID00240121
formula: C20H30O4
inchikey: PQBJNSYXHMLIDE-UHFFFAOYSA-N
norman_susdat_id: NS00062887
pubchem_cid: 44153904
smiles: O=C(O)CCCC(=O)OC=1C=CC=CC1CCCCCCCCC
inchi:
InChI=1/C20H30O4/c1-2-3-4-5-6-7-8-12-17-13-9-10-14-18(17)24-20(23)16-11-15-19(21)22/h9-10,13-14H,2-8,11-12,15-16H2,1H3,(H,21,22)


name: 2-(2-(Nonylphenoxy)ethoxy)ethyl stearate
cas: 93982-20-8
chemspiderid: 2289474
dtxsid: DTXSID60240122
formula: C37H66O4
inchikey: UOPBRKAGOWPWKP-UHFFFAOYSA-N
norman_susdat_id: NS00039860
pubchem_cid: 3023197
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC1=CC=CC=C1CCCCCCCCC
inchi:
InChI=1S/C37H66O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-30-37(38)41-34-32-39-31-33-40-36-29-26-25-28-35(36)27-23-21-19-10-8-6-4-2/h25-26,28-29H,3-24,27,30-34H2,1-2H3


name: 4-((4-(4-Nitrophenyl)anilino)azo)benzenesulphonic acid
cas: 93982-24-2
chemspiderid: 2289307
dtxsid: DTXSID40240125
formula: C18H14N4O5S1
inchikey: IPLYAPIYHAUZLV-UHFFFAOYSA-N
norman_susdat_id: NS00039861
pubchem_cid: 3022963
smiles: OS(=O)(=O)c1ccc(cc1)N=NNc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C18H14N4O5S/c23-22(24)17-9-3-14(4-10-17)13-1-5-15(6-2-13)19-21-20-16-7-11-18(12-8-16)28(25,26)27/h1-12H,(H,19,20)(H,25,26,27)


name: 1-Hydroxy-4-((3-methoxypropyl)amino)anthraquinone
cas: 93982-26-4
chemspiderid: 17334100
dtxsid: DTXSID00240126
formula: C18H17N1O4
inchikey: CTKVYBVRHPGRCA-UHFFFAOYSA-N
norman_susdat_id: NS00039862
pubchem_cid: 16205917
smiles: COCCCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C18H17NO4/c1-23-10-4-9-19-13-7-8-14(20)16-15(13)17(21)11-5-2-3-6-12(11)18(16)22/h2-3,5-8,19-20H,4,9-10H2,1H3


name: Butylbis(2-ethylhexyl)methylammonium methyl sulphate
cas: 93982-32-2
dtxsid: DTXSID50916743
formula: C21H45N
inchikey: RAJRONZREYYWAX-UHFFFAOYSA-N
norman_susdat_id: NS00062426
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.CCCCC(CC)CC([NH3+])(CCCC)CC(CC)CCCC
inchi:
InChI=1/C21H45N.CH4O4S/c1-6-11-14-19(9-4)17-21(22,16-13-8-3)18-20(10-5)15-12-7-2;1-5-6(2,3)4/h19-20H,6-18,22H2,1-5H3;1H3,(H,2,3,4)


name: 4-Amino-1-hydroxy-2-phenoxyanthraquinone
cas: 93982-34-4
chemspiderid: 21166404
dtxsid: DTXSID50240131
formula: C20H13N1O4
inchikey: YUTGHDCQYGHVNW-UHFFFAOYSA-N
norman_susdat_id: NS00039864
pubchem_cid: 13906822
smiles: Nc1cc(Oc2ccccc2)c(O)c2c1C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C20H13NO4/c21-14-10-15(25-11-6-2-1-3-7-11)20(24)17-16(14)18(22)12-8-4-5-9-13(12)19(17)23/h1-10,24H,21H2


name: 1,1'-[1,3-butadiene-1,4-diylbis[(5-methyl-2,6-benzoxazolediyl)methylene]]dipyridinium dichloride
cas: 93982-35-5
formula: C32H28N4O2
inchikey: PPMSUIPIXMKOBG-UHFFFAOYSA-L
norman_susdat_id: NS00062726
pubchem_cid: 57356384
smiles: [Cl-].[Cl-].N1=C(OC=2C=C(C(=CC12)C)C[N+]=3C=CC=CC3)C=CC=CC4=NC=5C=C(C(=CC5O4)C[N+]=6C=CC=CC6)C
inchi:
InChI=1/C32H28N4O2.2ClH/c1-23-17-27-29(19-25(23)21-35-13-7-3-8-14-35)37-31(33-27)11-5-6-12-32-34-28-18-24(2)26(20-30(28)38-32)22-36-15-9-4-10-16-36;;/h3-20H,21-22H2,1-2H3;2*1H/q+2;;/p-2


name: 1,1'-[1,3-butadiene-1,4-diylbis[(5-methyl-2,6-benzoxazolediyl)methylene]]dipyridinium sulphate
cas: 93982-37-7
formula: C32H28N4O2.O4S
inchikey: QXKIHATXUIJDNF-UHFFFAOYSA-L
norman_susdat_id: NS00091294
smiles: [O-]S([O-])(=O)=O.Cc2cc3nc(oc3cc2C[n+]1ccccc1)C=CC=Cc4nc5cc(C)c(cc5o4)C[n+]6ccccc6
inchi:
InChI=1/C32H28N4O2.H2O4S/c1-23-17-27-29(19-25(23)21-35-13-7-3-8-14-35)37-31(33-27)11-5-6-12-32-34-28-18-24(2)26(20-30(28)38-32)22-36-15-9-4-10-16-36;1-5(2,3)4/h3-20H,21-22H2,1-2H3;(H2,1,2,3,4)/q+2;/p-2


name: 5H-Dibenzo(3,4:9,10)piceno(12,13,14,1-bcdefgh)carbazole-5,9(7H)-dione
cas: 93982-38-8
chemspiderid: 21166407
dtxsid: DTXSID10240132
formula: C34H15N1O2
inchikey: MVLAVTZMQXYBPE-UHFFFAOYSA-N
norman_susdat_id: NS00039865
pubchem_cid: 56841430
smiles: O=C1C2=CC=CC=C2C2=C3C1=CC1=C4C5=C(N1)C=C1C(=O)C6=CC=CC=C6C6=C1C5=C(C=C6)C(C=C2)=C34
inchi:
InChI=1S/C34H15NO2/c36-33-21-7-3-1-5-15(21)17-9-11-19-20-12-10-18-16-6-2-4-8-22(16)34(37)24-14-26-32(30(20)28(18)24)31-25(35-26)13-23(33)27(17)29(19)31/h1-14,35H


name: 5,10,15,20,25,30,35,40-Octaoxatetratetracontane-1,44-diyl diacrylate
cas: 93982-39-9
chemspiderid: 21166408
dtxsid: DTXSID70240133
formula: C42H78O12
inchikey: XIRCRPNSIVRMQI-UHFFFAOYSA-N
norman_susdat_id: NS00039866
pubchem_cid: 44147551
smiles: C=CC(=O)OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC(=O)C=C
inchi:
InChI=1S/C42H78O12/c1-3-41(43)53-39-21-19-37-51-35-17-15-33-49-31-13-11-29-47-27-9-7-25-45-23-5-6-24-46-26-8-10-28-48-30-12-14-32-50-34-16-18-36-52-38-20-22-40-54-42(44)4-2/h3-4H,1-2,5-40H2


name: Diethyl[2-(2-hydroxyethoxy)ethyl]methylammonium methyl sulphate
cas: 93982-45-7
dtxsid: DTXSID90240135
formula: C9H22NO2
inchikey: WAQZYPUNLFXSMM-UHFFFAOYSA-M
norman_susdat_id: NS00063936
pubchem_cid: 21149769
smiles: O=S(=O)([O-])OC.OCCOCC[N+](C)(CC)CC
inchi:
InChI=1/C9H22NO2.CH4O4S/c1-4-10(3,5-2)6-8-12-9-7-11;1-5-6(2,3)4/h11H,4-9H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: 2,4,5-Tri-O-dodecyl-D-glucitol
cas: 93982-46-8
chemspiderid: 21166409
dtxsid: DTXSID50240136
formula: C42H86O6
inchikey: DNRJFQQTUGFNFN-CVGILMMLSA-N
norman_susdat_id: NS00039868
pubchem_cid: 44147674
smiles: CCCCCCCCCCCCO[C@@H](CO)[C@@H](O)[C@H](OCCCCCCCCCCCC)[C@@H](CO)OCCCCCCCCCCCC
inchi:
InChI=1S/C42H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-46-39(37-43)41(45)42(48-36-33-30-27-24-21-18-15-12-9-6-3)40(38-44)47-35-32-29-26-23-20-17-14-11-8-5-2/h39-45H,4-38H2,1-3H3/t39-,40+,41+,42+/m0/s1


name: 4-(Bis(4-(bis(phenylmethyl)amino)phenyl)methyl)benzene-1,3-disulphonic acid
cas: 93982-50-4
chemspiderid: 2289484
dtxsid: DTXSID70240138
formula: C47H42N2O6S2
inchikey: GTBGZMMEAUYMQS-UHFFFAOYSA-N
norman_susdat_id: NS00039870
pubchem_cid: 3023209
smiles: OS(=O)(=O)c1cc(c(cc1)C(c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)O
inchi:
InChI=1S/C47H42N2O6S2/c50-56(51,52)44-29-30-45(46(31-44)57(53,54)55)47(40-21-25-42(26-22-40)48(32-36-13-5-1-6-14-36)33-37-15-7-2-8-16-37)41-23-27-43(28-24-41)49(34-38-17-9-3-10-18-38)35-39-19-11-4-12-20-39/h1-31,47H,32-35H2,(H,50,51,52)(H,53,54,55)


name: Disodium 4-sulphonatoanthranilate
cas: 93982-51-5
formula: C7H7NO5S.2Na
inchikey: BVAIUJNIZFIRGB-UHFFFAOYSA-L
norman_susdat_id: NS00091886
smiles: [Na+].[Na+].Nc1cc(ccc1C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C7H7NO5S.2Na/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10;;/h1-3H,8H2,(H,9,10)(H,11,12,13);;/q;2*+1/p-2


name: 3-[(4-amino-2,5-dimethylphenyl)azo]naphthalene-1,5-disulphonic acid
cas: 93982-52-6
formula: C18H17N3O6S2
inchikey: YWYMXTLLRAYVEM-UHFFFAOYSA-N
norman_susdat_id: NS00062917
pubchem_cid: 3023212
smiles: O=S(=O)(O)C1=CC=CC=2C1=CC(N=NC=3C=C(C(N)=CC3C)C)=CC2S(=O)(=O)O
inchi:
InChI=1/C18H17N3O6S2/c1-10-7-16(11(2)6-15(10)19)21-20-12-8-14-13(18(9-12)29(25,26)27)4-3-5-17(14)28(22,23)24/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)


name: 6,13-Dichloro-3,10-bis(phenylamino)triphenodioxazine-2,9-disulphonic acid
cas: 93982-53-7
chemspiderid: 4788805
dtxsid: DTXSID40240140
formula: C30H18Cl2N4O8S2
inchikey: NXBSDRRWOSDDDG-UHFFFAOYSA-N
norman_susdat_id: NS00039871
pubchem_cid: 6043264
inchi:
InChI=1S/C30H18Cl2N4O8S2/c31-25-28-30(44-22-12-20(34-16-9-5-2-6-10-16)24(46(40,41)42)14-18(22)36-28)26(32)27-29(25)43-21-11-19(33-15-7-3-1-4-8-15)23(45(37,38)39)13-17(21)35-27/h1-14,33-34H,(H,37,38,39)(H,40,41,42)

smiles:
OS(=O)(=O)C1=C(NC2=CC=CC=C2)C=C2OC3=C(Cl)C4=NC5=CC(=C(NC6=CC=CC=C6)C=C5OC4=C(Cl)C3=NC2=C1)S(O)(=O)=O


cas: 93982-55-9
dtxsid: DTXSID60240142
formula: C37H28N10O8S3
inchikey: XMVJTZYIJLZZEH-UHFFFAOYSA-L
norman_susdat_id: NS00062735
pubchem_cid: NA
name:
Disodium 2-[[6-[[6-anilino-4-[4-sulphamoylphenyl]-1,3,5-triazin-2-yl]amino]-2-naphthyl]azo]-5-[(4-sulphonatophenyl)azo]benzenesulphonate

inchi:
InChI=1/C37H28N10O8S3.2Na/c38-56(48,49)31-15-8-23(9-16-31)35-41-36(39-26-4-2-1-3-5-26)43-37(42-35)40-28-10-6-25-21-29(11-7-24(25)20-28)46-47-33-19-14-30(22-34(33)58(53,54)55)45-44-27-12-17-32(18-13-27)57(50,51)52;;/h1-22H,(H2,38,48,49)(H,50,51,52)(H,53,54,55)(H2,39,40,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC=3C=CC4=CC(=CC=C4C3)NC5=NC(=NC(=N5)C=6C=CC(=CC6)S(=O)(=O)N)NC=7C=CC=CC7)C(=C2)S(=O)(=O)[O-])C=C1


name: 2-hydroxy-1,2-bis(3-phenoxyphenyl)ethan-1-one
cas: 93982-56-0
dtxsid: DTXSID00916738
formula: C26H20O4
inchikey: DDDGBXZGYPJRKI-UHFFFAOYSA-N
norman_susdat_id: NS00062918
pubchem_cid: 3023213
smiles: O=C(C=1C=CC=C(OC=2C=CC=CC2)C1)C(O)C=3C=CC=C(OC=4C=CC=CC4)C3
inchi:
InChI=1/C26H20O4/c27-25(19-9-7-15-23(17-19)29-21-11-3-1-4-12-21)26(28)20-10-8-16-24(18-20)30-22-13-5-2-6-14-22/h1-18,25,27H


name: 2-(Hexadecyloxy)pyridine
cas: 93982-58-2
chemspiderid: 87062
dtxsid: DTXSID80240144
formula: C21H37N1O1
inchikey: KEPLGVIQZKUMPL-UHFFFAOYSA-N
norman_susdat_id: NS00039873
pubchem_cid: 96441
smiles: CCCCCCCCCCCCCCCCOc1ncccc1
inchi:
InChI=1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-21-18-15-16-19-22-21/h15-16,18-19H,2-14,17,20H2,1H3


name: 2-(octadecyloxy)pyridine
cas: 93982-59-3
dtxsid: DTXSID40916737
formula: C23H41NO
inchikey: FDMPERQVQOQUFP-UHFFFAOYSA-N
norman_susdat_id: NS00062689
pubchem_cid: 96483
smiles: N=1C=CC=CC1OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-23-20-17-18-21-24-23/h17-18,20-21H,2-16,19,22H2,1H3


cas: 93982-62-8
formula: C34H25N9O11S2
inchikey: DUFWQUFULXKISO-UHFFFAOYSA-L
norman_susdat_id: NS00062498
pubchem_cid: NA
name:
Disodium 4-amino-3,6-bis[[4-[(2,4-dihydroxyphenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C34H25N9O11S2.2Na/c35-31-30-17(13-28(55(49,50)51)32(31)42-38-20-5-1-18(2-6-20)36-40-24-11-9-22(44)15-26(24)46)14-29(56(52,53)54)33(34(30)48)43-39-21-7-3-19(4-8-21)37-41-25-12-10-23(45)16-27(25)47;;/h1-16,44-48H,35H2,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(N=NC4=CC=C(O)C=C4O)C=C3)C(N)=C2C(O)=C1N=NC5=CC=C(N=NC6=CC=C(O)C=C6O)C=C5)S(=O)(=O)[O-]


cas: 93982-63-9
formula: C41H33N9O14S4
inchikey: KSNZFDRXTTZXGC-UHFFFAOYSA-J
norman_susdat_id: NS00063696
pubchem_cid: NA
name:
Tetrasodium 4-amino-5-hydroxy-3-[[4-[[4-[[4-hydroxy-2-[(o-tolyl)amino]phenyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C41H33N9O14S4.4Na/c1-22-4-2-3-5-30(22)44-33-21-28(51)13-17-31(33)48-45-25-8-6-24(7-9-25)43-32-16-12-27(20-34(32)66(56,57)58)47-49-39-35(67(59,60)61)18-23-19-36(68(62,63)64)40(41(52)37(23)38(39)42)50-46-26-10-14-29(15-11-26)65(53,54)55;;;;/h2-21,43-44,51-52H,42H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(NC5=CC=C(N=NC6=CC=C(O)C=C6NC=7C=CC=CC7C)C=C5)C(=C4)S(=O)(=O)[O-])C3N)S(=O)(=O)[O-])C=C1


cas: 93982-64-0
formula: C34H26N8O12S3
inchikey: VTAFVVOOWRRPBX-UHFFFAOYSA-K
norman_susdat_id: NS00062218
pubchem_cid: 135854021
name:
Trisodium 4-amino-3-[[4-[[4-[(2,4-dihydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H26N8O12S3.3Na/c35-31-30-18(15-29(57(52,53)54)33(34(30)45)42-38-20-4-2-1-3-5-20)14-28(56(49,50)51)32(31)41-39-22-10-12-25(27(16-22)55(46,47)48)36-19-6-8-21(9-7-19)37-40-24-13-11-23(43)17-26(24)44;;;/h1-17,36,43-45H,35H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(NC4=CC=C(N=NC5=CC=C(O)C=C5O)C=C4)C(=C3)S(=O)(=O)[O-])C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


cas: 93982-66-2
formula: C46H36N8O14S4
inchikey: PCKDGCQWSYMQJI-HMDWDXPFSA-J
norman_susdat_id: NS00062691
pubchem_cid: NA
name:
Tetrasodium 5,5'-[ethylenebis[(3-sulphonato-4,1-phenylene)-ONN-azoxy]]bis[8-(phenylazo)naphthalene-2-sulphonate]

inchi:
InChI=1/C46H34N8O14S4.4Na/c55-53(51-43-23-21-41(49-47-31-7-3-1-4-8-31)39-27-35(69(57,58)59)17-19-37(39)43)33-15-13-29(45(25-33)71(63,64)65)11-12-30-14-16-34(26-46(30)72(66,67)68)54(56)52-44-24-22-42(50-48-32-9-5-2-6-10-32)40-28-36(70(60,61)62)18-20-38(40)44;;;;/h1-10,13-28H,11-12H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=[N+]([O-])C3=CC=C(C(=C3)S(=O)(=O)[O-])CCC4=CC=C(C=C4S(=O)(=O)[O-])[N+]([O-])=NC5=CC=C(N=NC=6C=CC=CC6)C=7C=C(C=CC57)S(=O)(=O)[O-])=CC=C(N=NC=8C=CC=CC8)C2C1


cas: 93982-67-3
formula: C34H26N6O14S2
inchikey: WZGXIUTXUBRHKM-GGBDKULTSA-J
norman_susdat_id: NS00062499
pubchem_cid: NA
name:
Tetrasodium 5-[[4-[2-[4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]phenyl]-NNO-azoxy]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-ONN-azoxy]salicylate

inchi:
InChI=1/C34H24N6O14S2.4Na/c41-29-13-9-23(15-27(29)33(43)44)36-35-21-5-7-22(8-6-21)37-39(47)25-11-3-19(31(17-25)55(49,50)51)1-2-20-4-12-26(18-32(20)56(52,53)54)40(48)38-24-10-14-30(42)28(16-24)34(45)46;;;;/h1-18,41-42H,(H,43,44)(H,45,46)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=[N+]([O-])C3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])[N+]([O-])=NC5=CC=C(O)C(=C5)C(=O)[O-])C(=C3)S(=O)(=O)[O-])C=C2)=CC=C1O


name: L-lysine, compound with o-carboxyphenyl o-acetoxybenzoate (1:1)
cas: 93982-68-4
formula: C16H12O6.C6H14N2O2
inchikey: LRGULMMVQRVNGO-ZSCHJXSPSA-N
norman_susdat_id: NS00091772
smiles: CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O.NCCCC[C@H](N)C(=O)O
inchi:
InChI=1/C16H12O6.C6H14N2O2/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19;7-4-2-1-3-5(8)6(9)10/h2-9H,1H3,(H,18,19);5H,1-4,7-8H2,(H,9,10)


cas: 93982-78-6
dtxsid: DTXSID80240149
formula: C27H27N3O7S2
inchikey: UXBSXPIGFWJKHJ-UHFFFAOYSA-M
norman_susdat_id: NS00062728
pubchem_cid: 3023216
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4CCC(NS(=O)(=O)C5=CC=C(C=C5)C)CC4)=C13)S(=O)(=O)[O-]
name:
Sodium 1-amino-9,10-dihydro-4-[[4-[[(4-methylphenyl)sulphonyl]amino]cyclohexyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C27H27N3O7S2.Na/c1-15-6-12-18(13-7-15)38(33,34)30-17-10-8-16(9-11-17)29-21-14-22(39(35,36)37)25(28)24-23(21)26(31)19-4-2-3-5-20(19)27(24)32;/h2-7,12-14,16-17,29-30H,8-11,28H2,1H3,(H,35,36,37);/q;+1/p-1


cas: 93982-91-3
formula: C26H53N2O3
inchikey: UIBLMQVWQXUWMK-AFEZEDKISA-N
norman_susdat_id: NS00063718
pubchem_cid: 20836290
smiles: O=C(NCC[N+](C)(CCO)CC(O)C)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OC
name:
(Z)-2-hydroxypropyl(2-hydroxyethyl)methyl[2-[(1-oxo-9-octadecenyl)amino]ethyl]ammonium methyl sulphate

inchi:
InChI=1/C26H52N2O3.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(31)27-20-21-28(3,22-23-29)24-25(2)30;1-5-6(2,3)4/h11-12,25,29-30H,4-10,13-24H2,1-3H3;1H3,(H,2,3,4)


name: 3-(dodecenyl)dihydrofuran-2,5-dione, compound with 1H-benzotriazole (1:1)
cas: 93982-92-4
formula: C16H26O3.C6H5N3
inchikey: PUISDEOUDPMPQD-UHFFFAOYSA-N
norman_susdat_id: NS00091052
smiles: O=C1OC(=O)CC1C=CCCCCCCCCCC.c1cccc2nnnc12
inchi:
InChI=1/C16H26O3.C6H5N3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18;1-2-4-6-5(3-1)7-9-8-6/h11-12,14H,2-10,13H2,1H3;1-4H,(H,7,8,9)


cas: 93982-93-5
dtxsid: DTXSID90240155
formula: C36H34N10O10S2
inchikey: BLYMTTICGYPELP-YHPRVSEPSA-L
norman_susdat_id: NS00063719
pubchem_cid: NA
name:
Disodium 4,4'-bis[[6-anilino-4-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C36H34N10O10S2.2Na/c47-17-19-55-35-43-31(37-25-7-3-1-4-8-25)41-33(45-35)39-27-15-13-23(29(21-27)57(49,50)51)11-12-24-14-16-28(22-30(24)58(52,53)54)40-34-42-32(38-26-9-5-2-6-10-26)44-36(46-34)56-20-18-48;;/h1-16,21-22,47-48H,17-20H2,(H,49,50,51)(H,52,53,54)(H2,37,39,41,43,45)(H2,38,40,42,44,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC=3N=C(N=C(N3)NC=4C=CC=CC4)OCCO)NC=5N=C(N=C(N5)NC=6C=CC=CC6)OCCO


name: Phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate
cas: 93982-97-9
dtxsid: DTXSID40916732
formula: C24H25NO3
inchikey: XQRWVVSMZKGEBO-UHFFFAOYSA-N
norman_susdat_id: NS00062263
pubchem_cid: 16205926
smiles: O=C(OC=1C=CC=CC1)N(C)CCC(OC=2C=CC=CC2C)C=3C=CC=CC3
inchi:
InChI=1/C24H25NO3/c1-19-11-9-10-16-22(19)28-23(20-12-5-3-6-13-20)17-18-25(2)24(26)27-21-14-7-4-8-15-21/h3-16,23H,17-18H2,1-2H3


name: 4-Chloro-N-(5-ethyl-2-hydroxyphenyl)benzamide
cas: 93982-98-0
chemspiderid: 2289492
dtxsid: DTXSID70240158
formula: C15H14Cl1N1O2
inchikey: ZLBNQXDATOISEF-UHFFFAOYSA-N
norman_susdat_id: NS00039874
pubchem_cid: 3023222
smiles: CCc1cc(NC(=O)c2ccc(Cl)cc2)c(O)cc1
inchi:
InChI=1S/C15H14ClNO2/c1-2-10-3-8-14(18)13(9-10)17-15(19)11-4-6-12(16)7-5-11/h3-9,18H,2H2,1H3,(H,17,19)


name: 4-Chlorophenylbutyl 4-methylbenzenesulphonate
cas: 93982-99-1
chemspiderid: 4896898
dtxsid: DTXSID30240159
formula: C17H19Cl1O3S1
inchikey: GMBWFZODOYMUJF-UHFFFAOYSA-N
norman_susdat_id: NS00039875
pubchem_cid: 11405024
smiles: Cc1ccc(cc1)S(=O)(=O)OCCCCc1ccc(Cl)cc1
inchi:
InChI=1S/C17H19ClO3S/c1-14-5-11-17(12-6-14)22(19,20)21-13-3-2-4-15-7-9-16(18)10-8-15/h5-12H,2-4,13H2,1H3


name: Potassium 2-(4-chlorophenyl)benzoxazole-5-propionate
cas: 93983-00-7
formula: C16H12ClNO3.K
inchikey: RRYBJWUKCHIDNI-UHFFFAOYSA-M
norman_susdat_id: NS00091187
smiles: [K+].[O-]C(=O)CCc1ccc2oc(nc2c1)c3ccc(Cl)cc3
inchi:
InChI=1/C16H12ClNO3.K/c17-12-5-3-11(4-6-12)16-18-13-9-10(2-8-15(19)20)1-7-14(13)21-16;/h1,3-7,9H,2,8H2,(H,19,20);/q;+1/p-1


name: Sodium 2-(4-aminophenyl)-6-methylbenzothiazolesulphonate
cas: 93983-05-2
dtxsid: DTXSID80916731
formula: C14H14N2O3S2
inchikey: FTZKCHJUCUBJDH-UHFFFAOYSA-M
norman_susdat_id: NS00062573
pubchem_cid: 20836293
smiles: [Na+].O=S(=O)([O-])C1(SC2=CC(=CC=C2N1)C)C3=CC=C(N)C=C3
inchi:
InChI=1/C14H14N2O3S2.Na/c1-9-2-7-12-13(8-9)20-14(16-12,21(17,18)19)10-3-5-11(15)6-4-10;/h2-8,16H,15H2,1H3,(H,17,18,19);/q;+1/p-1


name: Octapotassium [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 93983-09-6
formula: C6H20N2O12P4.8K
inchikey: FDKSVCVUJQLTGV-UHFFFAOYSA-F
norman_susdat_id: NS00091053
inchi:
InChI=1/C6H20N2O12P4.8K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Tetraammonium tetrahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 93983-10-9
formula: C6H20N2O12P4.4H3N
inchikey: SJJUATKUTNDIHJ-UHFFFAOYSA-J
norman_susdat_id: NS00091289
inchi:
InChI=1/C6H20N2O12P4.4H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);4*1H3/p-4

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Pentaammonium trihydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 93983-11-0
formula: C6H20N2O12P4.5H3N
inchikey: RVDIGOIFJAOZKR-UHFFFAOYSA-K
norman_susdat_id: NS00091290
inchi:
InChI=1/C6H20N2O12P4.5H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);5*1H3/p-3

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Heptaammonium hydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 93983-12-1
formula: C6H20N2O12P4.7H3N
inchikey: JHPAYIOHFKRLFW-UHFFFAOYSA-M
norman_susdat_id: NS00091196
inchi:
InChI=1/C6H20N2O12P4.7H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);7*1H3/p-1

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: 6-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine hydrobromide
cas: 93983-15-4
formula: C19H22ClNO3.BrH
inchikey: NTSMVPIGNCFMTG-UHFFFAOYSA-N
norman_susdat_id: NS00091310
smiles: Br.COc1ccc(cc1)C2CNCCc3c(Cl)c(OC)c(OC)cc23
inchi:
InChI=1/C19H22ClNO3.BrH/c1-22-13-6-4-12(5-7-13)16-11-21-9-8-14-15(16)10-17(23-2)19(24-3)18(14)20;/h4-7,10,16,21H,8-9,11H2,1-3H3;1H


name: 2,2'-[[2-ethyl-2-(hydroxymethyl)propane-1,3-diyl]bis(oxymethylene)]bis[2-ethylpropane-1,3-diol]
cas: 93983-17-6
dtxsid: DTXSID50240171
formula: C18H38O7
inchikey: AJXQSAYQHHODGY-UHFFFAOYSA-N
norman_susdat_id: NS00062291
pubchem_cid: 44152468
smiles: OCC(CO)(COCC(CO)(COCC(CO)(CO)CC)CC)CC
inchi:
InChI=1/C18H38O7/c1-4-16(7-19,8-20)12-24-14-18(6-3,11-23)15-25-13-17(5-2,9-21)10-22/h19-23H,4-15H2,1-3H3


name: 2-ethyl-2-[[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)butoxy]methyl]butoxy]methyl]propane-1,3-diol
cas: 93983-21-2
dtxsid: DTXSID30916726
formula: C17H36O6
inchikey: PRLKHYMOWYNKPG-UHFFFAOYSA-N
norman_susdat_id: NS00063773
pubchem_cid: 3023233
smiles: OCC(COCC(CO)(COCC(CO)(CO)CC)CC)CC
inchi:
InChI=1/C17H36O6/c1-4-15(7-18)8-22-13-17(6-3,11-21)14-23-12-16(5-2,9-19)10-20/h15,18-21H,4-14H2,1-3H3


cas: 93983-22-3
dtxsid: DTXSID70916725
formula: C19H40O8
inchikey: JYTAOLSNJPFUNZ-UHFFFAOYSA-N
norman_susdat_id: NS00062293
pubchem_cid: 3023234
smiles: OCC(CO)(COCOCC(CO)(COCC(CO)(CO)CC)CC)CC
name:
2-[[2-[[[2,2-bis(hydroxymethyl)butoxy]methoxy]methyl]-2-(hydroxymethyl)butoxy]methyl]-2-ethylpropane-1,3-diol

inchi:
InChI=1/C19H40O8/c1-4-17(7-20,8-21)12-25-14-19(6-3,11-24)15-27-16-26-13-18(5-2,9-22)10-23/h20-24H,4-16H2,1-3H3


cas: 93983-23-4
formula: C39H31ClN10O16S5
inchikey: WXWWFFKUYGVUIQ-UHFFFAOYSA-I
norman_susdat_id: NS00062294
pubchem_cid: NA
name:
Pentasodium 3-[[4-[[4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-dimethylphenyl]azo]-2,5-disulphonatophenyl]azo]-4-hydroxy-5-(phenylamino)naphthalene-2,7-disulphonate

inchi:
InChI=1/C39H31ClN10O16S5.5Na/c1-19-12-27(20(2)11-26(19)43-39-45-37(40)44-38(46-39)42-23-9-6-10-24(15-23)67(52,53)54)47-48-28-17-32(70(61,62)63)29(18-31(28)69(58,59)60)49-50-35-33(71(64,65)66)14-21-13-25(68(55,56)57)16-30(34(21)36(35)51)41-22-7-4-3-5-8-22;;;;;/h3-18,41,51H,1-2H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,42,43,44,45,46);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC3=CC(=C(N=NC=4C=C(C(N=NC=5C(O)=C6C(C=C(C=C6NC=7C=CC=CC7)S(=O)(=O)[O-])=CC5S(=O)(=O)[O-])=CC4S(=O)(=O)[O-])S(=O)(=O)[O-])C=C3C)C


name: Tripotassium pentahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 93983-25-6
formula: C6H20N2O12P4.3K
inchikey: ORXNGOVUDPGXGK-UHFFFAOYSA-F
norman_susdat_id: NS00091311
smiles: [K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H20N2O12P4.3K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;/q;3*+1/p-8


name: Pentapotassium trihydrogen [ethylenebis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 93983-26-7
formula: C6H20N2O12P4.5K
inchikey: IAUVWXXAJJAVEB-UHFFFAOYSA-F
norman_susdat_id: NS00091197
smiles: [K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H20N2O12P4.5K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;/q;5*+1/p-8


name: Heptapotassium hydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 93983-27-8
formula: C6H20N2O12P4.7K
inchikey: FYIDGTKIRRXTAB-UHFFFAOYSA-F
norman_susdat_id: NS00091198
inchi:
InChI=1/C6H20N2O12P4.7K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;/q;7*+1/p-8

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: ((1-Oxoallyl)amino)dodecanesulphonic acid
cas: 93983-64-3
chemspiderid: 2289144
dtxsid: DTXSID50240176
formula: C15H29N1O4S1
inchikey: RNMMELLEIGPDFV-UHFFFAOYSA-N
norman_susdat_id: NS00039880
pubchem_cid: 44147043
smiles: OS(=O)(=O)CCCCCCCCCCCCNC(=O)C=C
inchi:
InChI=1S/C15H29NO4S/c1-2-15(17)16-13-11-9-7-5-3-4-6-8-10-12-14-21(18,19)20/h2H,1,3-14H2,(H,16,17)(H,18,19,20)


name: 1,1'-dimethyl-2,2'-oxydiethyl dibenzoate
cas: 94-03-1
formula: C20H22O5
inchikey: IZYUWBATGXUSIK-UHFFFAOYSA-N
norman_susdat_id: NS00078904
smiles: CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2
inchi:
InChI=1/C20H22O5/c1-15(24-19(21)17-9-5-3-6-10-17)13-23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3


name: Ethoxazene
cas: 94-10-0
chebiid: CHEBI:135053
chemspiderid: 16736128
dtxsid: DTXSID5046223
formula: C14H16N4O1
inchikey: GAWOVNGQYQVFLI-UHFFFAOYSA-N
norman_susdat_id: NS00040035
pubchem_cid: 16837
smiles: CCOc1ccc(cc1)N=Nc1c(N)cc(N)cc1
inchi:
InChI=1S/C14H16N4O/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16/h3-9H,2,15-16H2,1H3/b18-17+


name: Dimethocaine
cas: 94-15-5
chebiid: CHEBI:135154
chemspiderid: 6909
dtxsid: DTXSID40240185
formula: C16H26N2O2
inchikey: OWQIUQKMMPDHQQ-UHFFFAOYSA-N
norman_susdat_id: NS00005054
pubchem_cid: 7177
smiles: CCN(CC)CC(C)(C)COC(=O)c1ccc(N)cc1
inchi:
InChI=1S/C16H26N2O2/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13/h7-10H,5-6,11-12,17H2,1-4H3


name: Triethylene glycol bis(2-ethylhexanoate)
cas: 94-28-0
chemspiderid: 6917
dtxsid: DTXSID3026564
formula: C22H42O6
inchikey: FRQDZJMEHSJOPU-UHFFFAOYSA-N
norman_susdat_id: NS00010080
pubchem_cid: 7185
smiles: CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC
inchi:
InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3


name: Phenylmercury benzoate
cas: 94-43-9
formula: C13H10HgO2
inchikey: ZXFQZMVPEYERPI-UHFFFAOYSA-M
norman_susdat_id: NS00078905
smiles: [O-]C(=O)c1ccccc1.[Hg+]c2ccccc2
inchi:
InChI=1/C7H6O2.C6H5.Hg/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H,8,9);1-5H;/q;;+1/p-1/rC7H6O2.C6H5Hg/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);1-5H/q;+1/p-1


name: (2E)-3,6-Dimethylhepta-2,5-dien-1-yl benzoate
cas: 94-48-4
chebiid: CHEBI:156234
chemspiderid: 4509792
dtxsid: DTXSID4052637
formula: C17H22O2
inchikey: YDVXYTIIPGKIJP-NTCAYCPXSA-N
norman_susdat_id: NS00012494
pubchem_cid: 5353011
smiles: CC(C)=CCC/C(C)=C/COC(=O)c1ccccc1
inchi:
InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+


name: Piperine
cas: 94-62-2
chebiid: CHEBI:28821
chemspiderid: 553590
dtxsid: DTXSID3021805
formula: C17H19N1O3
inchikey: MXXWOMGUGJBKIW-YPCIICBESA-N
norman_susdat_id: NS00009248
pubchem_cid: 638024
smiles: O=C(C=CC=Cc1ccc2OCOc2c1)N1CCCCC1
inchi:
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+


name: N,N'-Disalicylidene-1,2-diaminopropane
cas: 94-91-7
chemspiderid: 4512376
dtxsid: DTXSID2041200
formula: C17H18N2O2
inchikey: OWGJODGIHAHWQP-GFCQZRJLSA-N
norman_susdat_id: NS00003066
pubchem_cid: 5356813
smiles: CC(CNC=C1C=CC=CC1=O)NC=C1C=CC=CC1=O
inchi:
InChI=1S/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,18-19H,10H2,1H3/b14-11-,15-12-


name: N,N'-Bis(salicylidene)ethylenediamine
cas: 94-93-9
chemspiderid: 10484366
dtxsid: DTXSID5059113
formula: C16H16N2O2
inchikey: VEUMANXWQDHAJV-UHFFFAOYSA-N
norman_susdat_id: NS00040426
pubchem_cid: NA
smiles: O=C1C=CC=C/C/1=C/NCCN/C=C1/C=CC=CC1=O
inchi:
InChI=1S/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,17-18H,9-10H2/b13-11-,14-12-


name: 4-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)phenol
cas: 940057-42-1
formula: C18H14N4O
inchikey: ZGJYGQLGSXWEMY-UHFFFAOYSA-N
norman_susdat_id: NS00071533
pubchem_cid: 24901696
smiles: Oc1ccc(Cc2nnc3ccc(-c4ccccc4)nn23)cc1
inchi:
InChI=1S/C18H14N4O/c23-15-8-6-13(7-9-15)12-18-20-19-17-11-10-16(21-22(17)18)14-4-2-1-3-5-14/h1-11,23H,12H2


name: Bis[(S)-nicotine] citrate
cas: 94006-00-5
formula: C10H14N2.1/2C6H8O7
inchikey: YUYVXGFHICNTBI-RCWTXCDDSA-N
norman_susdat_id: NS00091208
smiles: CN1CCC[C@H]1c2cccnc2.CN3CCC[C@H]3c4cccnc4.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/2C10H14N2.C6H8O7/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: (Z)-henicos-9-en-11-one
cas: 94006-01-6
formula: C21H40O
inchikey: KIIMLDAHZVVLHQ-ZPHPHTNESA-N
norman_susdat_id: NS00062770
pubchem_cid: 20836294
smiles: O=C(C=CCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20H2,1-2H3


name: 2'-[(2-chlorophenyl)amino]-6'-(ethylhexylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 94006-03-8
dtxsid: DTXSID90916707
formula: C34H33ClN2O3
inchikey: JIFFMKPNWQLWOW-UHFFFAOYSA-N
norman_susdat_id: NS00062771
pubchem_cid: 44154362
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC=5C=CC=CC5Cl)N(CC)CCCCCC)C=6C=CC=CC16
inchi:
InChI=1/C34H33ClN2O3/c1-3-5-6-11-20-37(4-2)24-17-18-27-32(22-24)39-31-19-16-23(36-30-15-10-9-14-29(30)35)21-28(31)34(27)26-13-8-7-12-25(26)33(38)40-34/h7-10,12-19,21-22,36H,3-6,11,20H2,1-2H3


name: 2-amino-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide monohydrochloride
cas: 94006-04-9
dtxsid: DTXSID60240203
formula: C15H13ClN3O4
inchikey: LIUNSHRFYDLAAB-UHFFFAOYSA-N
norman_susdat_id: NS00062596
pubchem_cid: NA
smiles: Cl.O=C(C=1C=CC=CC1Cl)C2=CC(=CC=C2NC(=O)CN)[N+](=O)[O-]
inchi:
InChI=1/C15H12ClN3O4.ClH/c16-12-4-2-1-3-10(12)15(21)11-7-9(19(22)23)5-6-13(11)18-14(20)8-17;/h1-7H,8,17H2,(H,18,20);1H


name: Ethyl N-[(3a,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]aminoacetate
cas: 94006-05-0
dtxsid: DTXSID30916706
formula: C28H47NO6
inchikey: IUMZSPQFQUFAHS-CWDNZPLVSA-N
norman_susdat_id: NS00063774
pubchem_cid: 91374619
smiles: O=C(OCC)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
inchi:
InChI=1/C28H47NO6/c1-5-35-25(34)15-29-24(33)9-6-16(2)19-7-8-20-26-21(14-23(32)28(19,20)4)27(3)11-10-18(30)12-17(27)13-22(26)31/h16-23,26,30-32H,5-15H2,1-4H3,(H,29,33)


cas: 94006-08-3
dtxsid: DTXSID10916704
formula: C25H37NO8
inchikey: WTGSJCREXITWMD-UHFFFAOYSA-N
norman_susdat_id: NS00062611
pubchem_cid: 44151280
smiles: O=C(OCC)CC1C2=CC(OC)=C(OC)C=C2CCN1CC(C(=O)OC)(C(=O)OC)CC(C)C
name:
Dimethyl [[1-(2-ethoxy-2-oxoethyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl]methyl](2-methylpropyl)malonate

inchi:
InChI=1/C25H37NO8/c1-8-34-22(27)13-19-18-12-21(31-5)20(30-4)11-17(18)9-10-26(19)15-25(14-16(2)3,23(28)32-6)24(29)33-7/h11-12,16,19H,8-10,13-15H2,1-7H3


name: (8-ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride
cas: 94006-10-7
formula: C30H32O2P
inchikey: GIUZTRKQAAYLIO-UHFFFAOYSA-M
norman_susdat_id: NS00062612
pubchem_cid: 3023246
smiles: [Cl-].O=C(OCC)C(=CC=CC(=CC[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)C)C
inchi:
InChI=1/C30H32O2P.ClH/c1-4-32-30(31)26(3)16-14-15-25(2)23-24-33(27-17-8-5-9-18-27,28-19-10-6-11-20-28)29-21-12-7-13-22-29;/h5-23H,4,24H2,1-3H3;1H/q+1;/p-1


name: 2-[(acetyl)[2-(stearoylamino)ethyl]amino]ethylacetate
cas: 94006-15-2
dtxsid: DTXSID30916701
formula: C26H50N2O4
inchikey: LDCNIWZTHXENPX-UHFFFAOYSA-M
norman_susdat_id: NS00063795
pubchem_cid: 3023249
smiles: O=C([O-])CCCN(C(=O)C)CCNC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H50N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25(30)27-21-23-28(24(2)29)22-18-20-26(31)32/h3-23H2,1-2H3,(H,27,30)(H,31,32)/p-1


name: 2-(Acetyl(2-((1-oxohexadecyl)amino)ethyl)amino)ethyl acetate
cas: 94006-16-3
chemspiderid: 2289515
dtxsid: DTXSID00240207
formula: C24H46N2O4
inchikey: WQSCZRSBIWNPKF-UHFFFAOYSA-N
norman_susdat_id: NS00039884
pubchem_cid: 3023251
smiles: CCCCCCCCCCCCCCCC(=O)NCCN(CCOC(=O)C)C(=O)C
inchi:
InChI=1S/C24H46N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)25-18-19-26(22(2)27)20-21-30-23(3)28/h4-21H2,1-3H3,(H,25,29)


name: 2-[(acetyl)[2-[(9Z,12Z)-octadeca-9,12-dienoylamino]ethyl]amino]ethyl acetate
cas: 94006-17-4
formula: C26H46N2O4
inchikey: KXHHGVXKLUUNOS-MURFETPASA-N
norman_susdat_id: NS00062316
pubchem_cid: 20836295
smiles: O=C(OCCN(C(=O)C)CCNC(=O)CCCCCCCC=CCC=CCCCCC)C
inchi:
InChI=1/C26H46N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(31)27-20-21-28(24(2)29)22-23-32-25(3)30/h8-9,11-12H,4-7,10,13-23H2,1-3H3,(H,27,31)


name: 2-[N-[2-[(Z)-octadec-9-enylamino]ethyl]acetamido]ethyl acetate
cas: 94006-18-5
formula: C26H50N2O3
inchikey: WBXMSJPVUUSZHF-QXMHVHEDSA-N
norman_susdat_id: NS00062815
pubchem_cid: 20836296
smiles: O=C(OCCN(C(=O)C)CCNCCCCCCCCC=CCCCCCCCC)C
inchi:
InChI=1/C26H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-22-28(25(2)29)23-24-31-26(3)30/h11-12,27H,4-10,13-24H2,1-3H3


name: Hexacosanoic acid, lead salt
cas: 94006-20-9
formula: C26H52O2.xPb
inchikey: DCDHFNGLMREXSP-UHFFFAOYSA-N
norman_susdat_id: NS00091090
smiles: [Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H52O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;;;/h2-25H2,1H3,(H,27,28);;;/q;+4;;/rC26H52O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h2-25H2,1H3,(H,27,28);1H2/q;+4


cas: 94006-22-1
formula: C41H78N3O.CH3O4S
inchikey: ASOLQNQTXIEOPJ-UHFFFAOYSA-N
norman_susdat_id: NS00091333
smiles: C[N+]1(CCNC(=O)CCCCCCCC=CCCCCCCCC)CC\N=C1\CCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OC
name:
2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium methyl sulphate

inchi:
InChI=1/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)


name: Disodium 4-[2-[(2-hydroxyethyl)(1-oxododecyl)amino]ethyl] 2-sulphonatosuccinate
cas: 94006-23-2
dtxsid: DTXSID70916700
formula: C20H37NO9S
inchikey: JPQANHUZEGEGSP-UHFFFAOYSA-L
norman_susdat_id: NS00062336
pubchem_cid: 11971226
smiles: [Na+].[Na+].O=C(OCCN(C(=O)CCCCCCCCCCC)CCO)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C20H37NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(23)21(12-14-22)13-15-30-19(24)16-17(20(25)26)31(27,28)29;;/h17,22H,2-16H2,1H3,(H,25,26)(H,27,28,29);;/q;2*+1/p-2


cas: 94006-25-4
formula: C26H18ClN7O15S4.5Na
inchikey: SCENRBSKRSXUQZ-UHFFFAOYSA-I
norman_susdat_id: NS00091091
name:
Pentasodium 2-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(2-sulphonatophenyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate

inchi:
InChI=1/C26H18ClN7O15S4.5Na/c27-24-30-25(28-15-6-5-12(50(38,39)40)9-14(15)23(36)37)32-26(31-24)29-17-10-13(51(41,42)43)7-11-8-19(53(47,48)49)21(22(35)20(11)17)34-33-16-3-1-2-4-18(16)52(44,45)46;;;;;/h1-10,35H,(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,28,29,30,31,32);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccc(cc4C([O-])=O)S([O-])(=O)=O)n5


name: 2,2'-Thiobis(benzamide)
cas: 94006-26-5
chemspiderid: 90062
dtxsid: DTXSID30240210
formula: C14H12N2O2S1
inchikey: VOPSSNOIPOBPFI-UHFFFAOYSA-N
norman_susdat_id: NS00039885
pubchem_cid: 99686
smiles: NC(=O)c1c(Sc2c(cccc2)C(=O)N)cccc1
inchi:
InChI=1S/C14H12N2O2S/c15-13(17)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)


name: Bis(2-butoxyethyl) decyl phosphite
cas: 94006-30-1
dtxsid: DTXSID50240212
formula: C22H47O5P
inchikey: GONWZGGBDSFWKH-UHFFFAOYSA-N
norman_susdat_id: NS00062614
pubchem_cid: 5744216
smiles: O(P(OCCOCCCC)OCCCCCCCCCC)CCOCCCC
inchi:
InChI=1/C22H47O5P/c1-4-7-10-11-12-13-14-15-18-25-28(26-21-19-23-16-8-5-2)27-22-20-24-17-9-6-3/h4-22H2,1-3H3


name: 2-butoxyethyl didecyl phosphite
cas: 94006-31-2
dtxsid: DTXSID10240213
formula: C26H55O4P
inchikey: CXHODNMQXAXVCG-UHFFFAOYSA-N
norman_susdat_id: NS00062615
pubchem_cid: 5744217
smiles: O(P(OCCCCCCCCCC)OCCCCCCCCCC)CCOCCCC
inchi:
InChI=1/C26H55O4P/c1-4-7-10-12-14-16-18-20-23-28-31(30-26-25-27-22-9-6-3)29-24-21-19-17-15-13-11-8-5-2/h4-26H2,1-3H3


name: 4-(chlorosulphonyl)-2-(2-pyridylazo)-1-naphthyl pivalate
cas: 94006-33-4
formula: C20H18ClN3O4S
inchikey: MRTVKYWNAPYBLC-UHFFFAOYSA-N
norman_susdat_id: NS00062816
pubchem_cid: 16205935
smiles: O=C(OC1=C(N=NC2=NC=CC=C2)C=C(C=3C=CC=CC13)S(=O)(=O)Cl)C(C)(C)C
inchi:
InChI=1/C20H18ClN3O4S/c1-20(2,3)19(25)28-18-14-9-5-4-8-13(14)16(29(21,26)27)12-15(18)23-24-17-10-6-7-11-22-17/h4-12H,1-3H3


cas: 94006-34-5
dtxsid: DTXSID40916696
formula: C36H46N4O5
inchikey: KYAFNVWMCCXQQZ-UHFFFAOYSA-N
norman_susdat_id: NS00062337
pubchem_cid: 3023254
smiles: N#CC1=CC=C(C=C1)NC(=O)NC2=CC(O)=C(C=C2O)NC(=O)C(OC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)CCCC
name:
2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-2,5-dihydroxyphenyl]hexanamide

inchi:
InChI=1/C36H46N4O5/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)39-27-20-30(42)28(21-29(27)41)40-34(44)38-25-16-13-23(22-37)14-17-25/h13-21,32,41-42H,8-12H2,1-7H3,(H,39,43)(H2,38,40,44)


name: 2-(2-pyridylazo)-4-sulpho-1-naphthyl pivalate
cas: 94006-36-7
formula: C20H19N3O5S
inchikey: AIOACQSIUYJNGF-UHFFFAOYSA-N
norman_susdat_id: NS00062616
pubchem_cid: 16205936
smiles: O=C(OC1=C(N=NC2=NC=CC=C2)C=C(C=3C=CC=CC13)S(=O)(=O)O)C(C)(C)C
inchi:
InChI=1/C20H19N3O5S/c1-20(2,3)19(24)28-18-14-9-5-4-8-13(14)16(29(25,26)27)12-15(18)22-23-17-10-6-7-11-21-17/h4-12H,1-3H3,(H,25,26,27)


name: 1-Hydroxy-4-(2-((2-methoxyethyl)amino)-2-oxoethoxy)-2-naphthoic acid
cas: 94006-38-9
chemspiderid: 2289518
dtxsid: DTXSID30240215
formula: C16H17N1O6
inchikey: KQOISVWHDJYHLJ-UHFFFAOYSA-N
norman_susdat_id: NS00039886
pubchem_cid: 3023257
smiles: COCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12
inchi:
InChI=1S/C16H17NO6/c1-22-7-6-17-14(18)9-23-13-8-12(16(20)21)15(19)11-5-3-2-4-10(11)13/h2-5,8,19H,6-7,9H2,1H3,(H,17,18)(H,20,21)


name: (1alpha,2beta,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexyl decanoate
cas: 94020-93-6
chemspiderid: 21166448
dtxsid: DTXSID20240224
formula: C20H38O2
inchikey: OLKHPKJDRMQATD-OTWHNJEPSA-N
norman_susdat_id: NS00039889
pubchem_cid: 12738088
smiles: CCCCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
inchi:
InChI=1S/C20H38O2/c1-5-6-7-8-9-10-11-12-20(21)22-19-15-17(4)13-14-18(19)16(2)3/h16-19H,5-15H2,1-4H3/t17-,18+,19-/m0/s1


