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Substance Name: (Benzyl)(4-((4-((benzyl)ethylammonio)phenyl)(2,4-disulphonatophenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonium
RN: 21563-97-3
InChIKey: NQMGTLJUUBCSCY-GIHGHDOOSA-N

Molecular Formula

  • C37-H36-N2-O6-S2

Molecular Weight

  • 668.8314
 
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Names and Synonyms

Synonym

  • EINECS 244-444-5

Systematic Name

  • (Benzyl)(4-((4-((benzyl)ethylammonio)phenyl)(2,4-disulphonatophenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonium

Registry Numbers

CAS Registry Number

  • 21563-97-3

System Generated Number

  • 0021563973

Structure Descriptors

InChI

1S/C37H36N2O6S2/c1-3-30(25-28-11-7-5-8-12-28)31-15-17-32(18-16-31)37(35-20-19-34(46(40,41)42)26-36(35)47(43,44)45)39-23-21-33(22-24-39)38(4-2)27-29-13-9-6-10-14-29/h5-24,26,30H,3-4,25,27H2,1-2H3/b38-33-,39-37+

InChIKey

NQMGTLJUUBCSCY-GIHGHDOOSA-N

Smiles

CCC(Cc1ccccc1)c2ccc(cc2)C(=[N+]3C=CC(=[N+](CC)Cc4ccccc4)C=C3)c5ccc(cc5S(=O)(=O)[O-])S(=O)(=O)[O-]