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Substance Name: Sodium 5-(tert-butyl)-2-((4-((4-(tert-butyl)phenyl)amino)-9,10-dihydro-5,8-dihydroxy-9,10-dioxoanthracen-1-yl)amino)benzenesulphonate
RN: 83006-68-2
InChIKey: LYQIEAINLLYXME-UHFFFAOYSA-M

Molecular Formula

  • C34-H34-N2-O7-S.Na

Molecular Weight

  • 636.6977
 
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Names and Synonyms

Synonym

  • EINECS 280-117-3

Systematic Names

  • Benzenesulfonic acid, 5-(1,1-dimethylethyl)-2-((4-((4-(1,1-dimethylethyl)phenyl)amino)-9,10-dihydro-5,8-dihydroxy-9,10-dioxo-1-anthracenyl)amino)-, monosodium salt
  • Sodium 5-(tert-butyl)-2-((4-((4-(tert-butyl)phenyl)amino)-9,10-dihydro-5,8-dihydroxy-9,10-dioxoanthracen-1-yl)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 83006-68-2

System Generated Number

  • 0083006682

Molecular Formulas

Molecular Formula

  • C34-H34-N2-O7-S.Na

Molecular Formula Fragments

  • C34-H34-N2-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H34N2O7S.Na/c1-33(2,3)18-7-10-20(11-8-18)35-22-13-14-23(36-21-12-9-19(34(4,5)6)17-26(21)44(41,42)43)28-27(22)31(39)29-24(37)15-16-25(38)30(29)32(28)40;/h7-17,35-38H,1-6H3,(H,41,42,43);/q;+1/p-1

InChIKey

LYQIEAINLLYXME-UHFFFAOYSA-M

Smiles

CC(C)(C)c1ccc(cc1)Nc2ccc(c3c2C(=O)c4c(ccc(c4C3=O)O)O)Nc5ccc(cc5S(=O)(=O)[O-])C(C)(C)C.[Na+]