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Substance Name: 5-((4-((2-Chlorophenyl)(4-((3,5-dicarboxyphenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)isophthalic acid monohydrochloride
RN: 94166-42-4
InChIKey: KXFMNVQVDOVUBX-BOEGZGIASA-N

Molecular Formula

  • C35-H23-Cl-N2-O8.Cl-H

Molecular Weight

  • 671.4866
 
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Names and Synonyms

Synonym

  • EINECS 303-339-5

Systematic Name

  • 5-((4-((2-Chlorophenyl)(4-((3,5-dicarboxyphenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)isophthalic acid monohydrochloride

Registry Numbers

CAS Registry Number

  • 94166-42-4

System Generated Number

  • 0094166424

Molecular Formulas

Molecular Formula

  • C35-H23-Cl-N2-O8.Cl-H

Molecular Formula Fragments

  • C35-H23-Cl-N2-O8
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C35H23ClN2O8.ClH/c36-30-4-2-1-3-29(30)31(19-5-9-25(10-6-19)37-27-15-21(32(39)40)13-22(16-27)33(41)42)20-7-11-26(12-8-20)38-28-17-23(34(43)44)14-24(18-28)35(45)46;/h1-18,37H,(H,39,40)(H,41,42)(H,43,44)(H,45,46);1H/b31-20-,38-26+;

InChIKey

KXFMNVQVDOVUBX-BOEGZGIASA-N

Smiles

C(=C1\C=CC(=N\c2cc(C(=O)O)cc(C(=O)O)c2)\C=C1)(\c1c(Cl)cccc1)c1ccc(Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1.Cl