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Substance Name: Sodium 5-((9,10-dihydro-9,10-dioxo-4-((3,3,5-trimethylcyclohexyl)amino)-1-anthryl)amino)-2-ethoxybenzenesulphonate
RN: 79135-79-8
InChIKey: ILMFZRGAFXBIQD-UHFFFAOYSA-M

Molecular Formula

  • C31-H34-N2-O6-S.Na

Molecular Weight

  • 584.6657
 
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Names and Synonyms

Synonym

  • EINECS 279-079-0

Systematic Name

  • Sodium 5-((9,10-dihydro-9,10-dioxo-4-((3,3,5-trimethylcyclohexyl)amino)-1-anthryl)amino)-2-ethoxybenzenesulphonate

Registry Numbers

CAS Registry Number

  • 79135-79-8

System Generated Number

  • 0079135798

Molecular Formulas

Molecular Formula

  • C31-H34-N2-O6-S.Na

Molecular Formula Fragments

  • C31-H34-N2-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H34N2O6S.Na/c1-5-39-25-13-10-19(15-26(25)40(36,37)38)32-23-11-12-24(33-20-14-18(2)16-31(3,4)17-20)28-27(23)29(34)21-8-6-7-9-22(21)30(28)35;/h6-13,15,18,20,32-33H,5,14,16-17H2,1-4H3,(H,36,37,38);/q;+1/p-1

InChIKey

ILMFZRGAFXBIQD-UHFFFAOYSA-M

Smiles

CCOc1ccc(cc1S(=O)(=O)[O-])Nc2ccc(c3c2C(=O)c4ccccc4C3=O)NC5CC(CC(C5)(C)C)C.[Na+]