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Substance Name: Dihydrogen (carboxylatomethyl)(4-(4-((carboxylatomethyl)ethylamino)-3'-sulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)ethylammonium
RN: 93962-57-3
InChIKey: XEJJWCJTHYBGIX-UHFFFAOYSA-N

Molecular Formula

  • C27-H28-N2-O7-S

Molecular Weight

  • 524.5912
 
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Names and Synonyms

Synonym

  • EINECS 300-693-2

Systematic Name

  • Dihydrogen (carboxylatomethyl)(4-(4-((carboxylatomethyl)ethylamino)-3'-sulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)ethylammonium

Registry Numbers

CAS Registry Number

  • 93962-57-3

System Generated Number

  • 0093962573

Structure Descriptors

InChI

1S/C27H28N2O7S/c1-3-28(17-25(30)31)22-12-8-19(9-13-22)27(21-6-5-7-24(16-21)37(34,35)36)20-10-14-23(15-11-20)29(4-2)18-26(32)33/h5-16H,3-4,17-18H2,1-2H3,(H2-,30,31,32,33,34,35,36)

InChIKey

XEJJWCJTHYBGIX-UHFFFAOYSA-N

Smiles

CCN(CC(=O)O)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC(=O)[O-])C=C2)c3cccc(c3)S(=O)(=O)O