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Substance Name: Hydrogen (4-(4-(diethylamino)-2',4'-disulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, aluminium salt
RN: 15876-40-1
InChIKey: BAMCRALEKLKFRD-UHFFFAOYSA-K

Molecular Formula

  • C27-H32-N2-O6-S2.1/3Al

Molecular Weight

  • 1658.0277
 
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Names and Synonyms

Synonym

  • EINECS 240-006-2

Systematic Name

  • Hydrogen (4-(4-(diethylamino)-2',4'-disulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, aluminium salt

Registry Numbers

CAS Registry Number

  • 15876-40-1

System Generated Number

  • 0015876401

Molecular Formulas

Molecular Formula

  • C27-H32-N2-O6-S2.1/3Al

Molecular Formula Fragments

  • Al
  • C27-H32-N2-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/3C27H32N2O6S2.Al/c3*1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h3*9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;;;+3/p-3

InChIKey

BAMCRALEKLKFRD-UHFFFAOYSA-K

Smiles

CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-].[Al+3]