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Substance Name: Hydrogen (4-((4-(diethylamino)phenyl)(4-(ethyl(sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(sulphonatobenzyl)ammonium, sodium salt
RN: 94248-53-0
InChIKey: ZLMJOPICXVXABS-UHFFFAOYSA-M

Molecular Formula

  • C41-H45-N3-O6-S2.Na

Molecular Weight

  • 761.9356
 
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Names and Synonyms

Synonym

  • EINECS 304-326-7

Systematic Names

  • Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-ar-sulfo-, hydroxide, inner salt, sodium salt
  • Hydrogen (4-((4-(diethylamino)phenyl)(4-(ethyl(sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(sulphonatobenzyl)ammonium, sodium salt

Registry Numbers

CAS Registry Number

  • 94248-53-0

System Generated Number

  • 0094248530

Molecular Formulas

Molecular Formula

  • C41-H45-N3-O6-S2.Na

Molecular Formula Fragments

  • C41-H45-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H45N3O6S2.Na/c1-5-42(6-2)36-25-19-31(20-26-36)39(32-21-27-37(28-22-32)43(7-3)40(51(45,46)47)34-15-11-9-12-16-34)33-23-29-38(30-24-33)44(8-4)41(52(48,49)50)35-17-13-10-14-18-35;/h9-30,40-41H,5-8H2,1-4H3,(H-,45,46,47,48,49,50);/q;+1/p-1

InChIKey

ZLMJOPICXVXABS-UHFFFAOYSA-M

Smiles

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