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Substance Name: Hydrogen (4-((4-(diethylamino)phenyl)(4-(ethyl(sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(sulphonatobenzyl)ammonium, sodium salt
RN: 97334-73-1
InChIKey: VUJNRWNNPXQKEE-UHFFFAOYSA-M

Molecular Formula

  • C43-H49-N3-O6-S2.Na

Molecular Weight

  • 789.9892
 
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Names and Synonyms

Synonym

  • EINECS 306-565-2

Systematic Names

  • Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-ar-sulfo-, hydroxide, inner salt, sodium salt
  • Hydrogen (4-((4-(diethylamino)phenyl)(4-(ethyl(sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(sulphonatobenzyl)ammonium, sodium salt

Registry Numbers

CAS Registry Number

  • 97334-73-1

System Generated Number

  • 0097334731

Molecular Formulas

Molecular Formula

  • C43-H49-N3-O6-S2.Na

Molecular Formula Fragments

  • C43-H49-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C43H49N3O6S2.Na/c1-7-44(8-2)36-23-21-33(22-24-36)41(39-27-25-37(29-31(39)5)45(9-3)42(53(47,48)49)34-17-13-11-14-18-34)40-28-26-38(30-32(40)6)46(10-4)43(54(50,51)52)35-19-15-12-16-20-35;/h11-30,42-43H,7-10H2,1-6H3,(H-,47,48,49,50,51,52);/q;+1/p-1

InChIKey

VUJNRWNNPXQKEE-UHFFFAOYSA-M

Smiles

S(=O)(=O)(C(/[N+](=C1/C=C(C(=C(\c2c(cc(N(C(S(=O)(=O)[O-])c3ccccc3)CC)cc2)C)c2ccc(N(CC)CC)cc2)\C=C1)C)CC)c1ccccc1)[O-].[Na+]