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Substance Name: 4,4'-(Vinylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((1-sulpho-2-naphthyl)azo)naphthalene-2,7-disulphonic) acid
RN: 94022-69-2
InChIKey: OWSIQCLPCGXETQ-SKBPJZKVSA-N

Molecular Formula

  • C60-H40-Cl2-N14-O26-S8

Molecular Weight

  • 1700.482
 
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Names and Synonyms

Synonym

  • EINECS 301-568-5

Systematic Name

  • 4,4'-(Vinylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((1-sulpho-2-naphthyl)azo)naphthalene-2,7-disulphonic) acid

Registry Numbers

CAS Registry Number

  • 94022-69-2

System Generated Number

  • 0094022692

Structure Descriptors

InChI

1S/C60H40Cl2N14O26S8/c61-55-67-57(71-59(69-55)65-41-25-33(103(79,80)81)20-30-22-45(107(91,92)93)49(51(77)47(30)41)75-73-39-18-14-27-6-1-3-8-35(27)53(39)109(97,98)99)63-32-16-12-29(44(24-32)106(88,89)90)13-17-37-38(10-5-11-43(37)105(85,86)87)64-58-68-56(62)70-60(72-58)66-42-26-34(104(82,83)84)21-31-23-46(108(94,95)96)50(52(78)48(31)42)76-74-40-19-15-28-7-2-4-9-36(28)54(40)110(100,101)102/h1-26,77-78H,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H2,63,65,67,69,71)(H2,64,66,68,70,72)/b17-13+,75-73+,76-74+

InChIKey

OWSIQCLPCGXETQ-SKBPJZKVSA-N

Smiles

c1ccc2c(c1)ccc(c2S(=O)(=O)O)/N=N/c3c(cc4cc(cc(c4c3O)Nc5nc(nc(n5)Cl)Nc6ccc(c(c6)S(=O)(=O)O)/C=C/c7c(cccc7S(=O)(=O)O)Nc8nc(nc(n8)Cl)Nc9cc(cc1c9c(c(c(c1)S(=O)(=O)O)/N=N/c1ccc2ccccc2c1S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O