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Substance Name: Hydrogen (4-((4-(dimethylamino)phenyl)(4-(ethyl(sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(sulphonatobenzyl)ammonium
RN: 94248-54-1
InChIKey: MGMNJZUSGNRCSU-UHFFFAOYSA-N

Molecular Formula

  • C39-H41-N3-O6-S2

Molecular Weight

  • 711.8999
 
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Names and Synonyms

Synonym

  • EINECS 304-327-2

Systematic Name

  • Hydrogen (4-((4-(dimethylamino)phenyl)(4-(ethyl(sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(sulphonatobenzyl)ammonium

Registry Numbers

CAS Registry Number

  • 94248-54-1

System Generated Number

  • 0094248541

Structure Descriptors

InChI

1S/C39H41N3O6S2/c1-5-41(38(49(43,44)45)32-13-9-7-10-14-32)35-25-19-30(20-26-35)37(29-17-23-34(24-18-29)40(3)4)31-21-27-36(28-22-31)42(6-2)39(50(46,47)48)33-15-11-8-12-16-33/h7-28,38-39H,5-6H2,1-4H3,(H-,43,44,45,46,47,48)

InChIKey

MGMNJZUSGNRCSU-UHFFFAOYSA-N

Smiles

S(=O)(=O)(C(/[N+](=C1/C=CC(=C(\c2ccc(N(C(S(=O)(=O)O)c3ccccc3)CC)cc2)c2ccc(N(C)C)cc2)/C=C1)CC)c1ccccc1)[O-]