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Substance Name: Benzenesulfonic acid, ((3-((4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-1-oxopropyl)amino)-, sodium salt (1:1)
RN: 71889-06-0
InChIKey: IGYVYYZYJUHRMM-UHFFFAOYSA-M

Molecular Formula

  • C29-H29-N3-O6-S.Na

Molecular Weight

  • 569.611
 
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Names and Synonyms

Synonym

  • EINECS 276-166-5

Systematic Names

  • Benzenesulfonic acid, ((3-((4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-1-oxopropyl)amino)-, monosodium salt
  • Benzenesulfonic acid, ((3-((4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-1-oxopropyl)amino)-, sodium salt (1:1)
  • Sodium ((3-((4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-1-oxopropyl)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 71889-06-0

System Generated Number

  • 0071889060

Molecular Formulas

Molecular Formula

  • C29-H29-N3-O6-S.Na

Molecular Formula Fragments

  • C29-H29-N3-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H29N3O6S.Na/c33-25(32-21-12-6-7-13-24(21)39(36,37)38)16-17-30-22-14-15-23(31-18-8-2-1-3-9-18)27-26(22)28(34)19-10-4-5-11-20(19)29(27)35;/h4-7,10-15,18,30-31H,1-3,8-9,16-17H2,(H,32,33)(H,36,37,38);/q;+1/p-1

InChIKey

IGYVYYZYJUHRMM-UHFFFAOYSA-M

Smiles

[Na+].c1(c(cccc1)NC(CCNc1ccc(c2C(c3ccccc3C(c12)=O)=O)NC1CCCCC1)=O)S(=O)(=O)[O-]