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Substance Name: Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-
RN: 71606-01-4
InChIKey: HQJBABOQKZBNOU-OALUTQOASA-N

Molecular Formula

  • C29-H23-N-O7-S

Molecular Weight

  • 531.5825
 
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Names and Synonyms

  • Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-

Registry Numbers

CAS Registry Number

  • 71606-01-4

System Generated Number

  • 0071606014

Structure Descriptors

InChI

1S/C29H25NO7S/c1-29(2,16-8-4-3-5-9-16)17-12-13-21(23(14-17)38(34,35)36)37-22-15-20(31)24-25(26(22)30)28(33)19-11-7-6-10-18(19)27(24)32/h3-15,18-19,31H,30H2,1-2H3,(H,34,35,36)/t18-,19-/m0/s1

InChIKey

HQJBABOQKZBNOU-OALUTQOASA-N

Smiles

CC(C)(c1ccccc1)c2ccc(c(c2)S(=O)(=O)O)Oc3cc(c4c(c3N)C(=O)[C@H]5C=CC=C[C@@H]5C4=O)O