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Substance Name: Benzenesulfonic acid, (((2-chloroacetyl)amino)methyl)(4-((4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)phenoxy)methyl-, sodium salt (1:1)
RN: 72391-24-3
InChIKey: INODZIDNDJNSKB-UHFFFAOYSA-M

Molecular Formula

  • C36-H34-Cl-N3-O7-S.Na

Molecular Weight

  • 710.18
 
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Names and Synonyms

Synonym

  • EINECS 276-635-4

Systematic Names

  • Benzenesulfonic acid, (((2-chloroacetyl)amino)methyl)(4-((4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)phenoxy)methyl-, sodium salt (1:1)
  • Benzenesulfonic acid, (((chloroacetyl)amino)methyl)(4-((4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)phenoxy)methyl-, monosodium salt
  • Sodium alpha-(chloroacetamido)(4-((4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthryl)amino)phenoxy)xylenesulphonate

Registry Numbers

CAS Registry Number

  • 72391-24-3

System Generated Number

  • 0072391243

Molecular Formulas

Molecular Formula

  • C36-H34-Cl-N3-O7-S.Na

Molecular Formula Fragments

  • C36-H34-Cl-N3-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H34ClN3O7S.Na/c1-21-30(48(44,45)46)18-11-22(20-38-31(41)19-37)36(21)47-25-14-12-24(13-15-25)40-29-17-16-28(39-23-7-3-2-4-8-23)32-33(29)35(43)27-10-6-5-9-26(27)34(32)42;/h5-6,9-18,23,39-40H,2-4,7-8,19-20H2,1H3,(H,38,41)(H,44,45,46);/q;+1/p-1

InChIKey

INODZIDNDJNSKB-UHFFFAOYSA-M

Smiles

[Na+].c1(c(c(c(cc1)CNC(=O)CCl)Oc1ccc(cc1)Nc1ccc(c2C(c3ccccc3C(c12)=O)=O)NC1CCCCC1)C)S(=O)(=O)[O-]