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Substance Name: Benzenesulfonic acid, 2-methyl-4-((4-((4-((3-methylphenyl)amino)phenyl)(4-((3-methylphenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)phenyl)amino)-
RN: 6417-46-5
InChIKey: IIXWWFPZFCVALL-XQIFJBBPSA-N

Molecular Formula

  • C40-H35-N3-O3-S

Molecular Weight

  • 637.8
 
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Names and Synonyms

Synonyms

  • C.I. Pigment Blue 56
  • EINECS 229-139-7

Systematic Names

  • 2-Methyl-4-((4-((4-((3-tolyl)amino)phenyl)(4-(3-tolylimino)-2,5-cyclohexadien-1-ylidene)methyl)phenyl)amino)benzenesulphonic acid
  • Benzenesulfonic acid, 2-methyl-4-((4-((4-((3-methylphenyl)amino)phenyl)(4-((3-methylphenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)phenyl)amino)-

Registry Numbers

CAS Registry Number

  • 6417-46-5

System Generated Number

  • 0006417465

Structure Descriptors

InChI

1S/C40H35N3O3S/c1-27-6-4-8-36(24-27)41-33-16-10-30(11-17-33)40(31-12-18-34(19-13-31)42-37-9-5-7-28(2)25-37)32-14-20-35(21-15-32)43-38-22-23-39(29(3)26-38)47(44,45)46/h4-26,41,43H,1-3H3,(H,44,45,46)/b40-31-,42-34+

InChIKey

IIXWWFPZFCVALL-XQIFJBBPSA-N

Smiles

c1cc(Nc2ccc(S(=O)(=O)O)c(C)c2)ccc1\C(c1ccc(Nc2cccc(C)c2)cc1)=C1/C=C\C(=N\c2cccc(C)c2)C=C1