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Substance Name: Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-
RN: 7597-19-5
InChIKey: WXESCRGMRLUOGU-RIUVSAGESA-N

Molecular Formula

  • C32-H27-N3-O9-S3

Molecular Weight

  • 693.7753
 
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Names and Synonyms

Synonym

  • NSC 56820

Systematic Name

  • Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-

Registry Numbers

CAS Registry Number

  • 7597-19-5

System Generated Number

  • 0007597195

Structure Descriptors

InChI

1S/C32H27N3O9S3/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)/b31-22-,35-25+

InChIKey

WXESCRGMRLUOGU-RIUVSAGESA-N

Smiles

Cc1cc(cc(c1N)S(=O)(=O)O)C(=C2C=CC(=[NH+]c3ccc(cc3)S(=O)(=O)O)C=C2)c4ccc(cc4)Nc5ccc(cc5)S(=O)(=O)[O-]