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Substance 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
RN: 93942-63-3
InChIKey: IUYVQTSRRZICKL-FWZIHMHMSA-N

Molecular Formula

  • C62-H44-Cl2-N14-O26-S8

Molecular Weight

  • 1728.5356
 
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Names and Synonyms

Synonym

  • EINECS 300-617-8

Systematic 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

Registry Numbers

CAS Registry Number

  • 93942-63-3

System Generated Number

  • 0093942633

Structure Descriptors

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+

InChIKey

IUYVQTSRRZICKL-FWZIHMHMSA-N

Smiles

CN(c1nc(nc(n1)Nc2cc(c(cc2)/C=C/c3c(cc(cc3)Nc4nc(nc(n4)N(c5cc6c(c(c(c(c6)S(=O)(=O)O)/N=N/c7c(c8c(c(ccc8)S(=O)(=O)O)cc7)S(=O)(=O)O)O)cc5)C)Cl)S(=O)(=O)O)S(=O)(=O)O)Cl)c9cc1c(c(c(c(c1)S(=O)(=O)O)/N=N/c1c(c2c(c(ccc2)S(=O)(=O)O)cc1)S(=O)(=O)O)O)cc9