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Substance Name: Benzenesulfonic acid, ((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)(1,1-dimethylpropyl)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
RN: 77942-80-4
InChIKey: QWHPVMKZUFVMGJ-UHFFFAOYSA-N

Molecular Formula

  • C25-H23-N-O7-S.C6-H15-N-O3

Molecular Weight

  • 630.7112
 
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Names and Synonyms

  • Benzenesulfonic acid, ((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)(1,1-dimethylpropyl)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 77942-80-4

System Generated Number

  • 0077942804

Molecular Formulas

Molecular Formula

  • C25-H23-N-O7-S.C6-H15-N-O3

Molecular Formula Fragments

  • C25-H23-N-O7-S
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H23NO7S.C6H15NO3/c1-4-25(2,3)21-16(10-7-11-18(21)34(30,31)32)33-17-12-15(27)19-20(22(17)26)24(29)14-9-6-5-8-13(14)23(19)28;8-4-1-7(2-5-9)3-6-10/h5-12,27H,4,26H2,1-3H3,(H,30,31,32);8-10H,1-6H2

InChIKey

QWHPVMKZUFVMGJ-UHFFFAOYSA-N

Smiles

CCC(C)(C)c1c(cccc1S(=O)(=O)O)Oc2cc(c3c(c2N)C(=O)c4ccccc4C3=O)O.C(CO)N(CCO)CCO