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]-, sodium salt (1:1)

CAS Registry Number®

83006-68-2

CAS Name

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]-, sodium salt (1:1)

Molecular Formula

C34H34N2O7S.Na

Cite this Page

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]-, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83006-68-2 (retrieved 2025-01-07) (CAS RN: 83006-68-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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);

InChIKey

InChIKey=RVSMHZZEWXTMLS-UHFFFAOYSA-N

SMILES

N(C1=C2C(=C(NC3=CC=C(C(C)(C)C)C=C3)C=C1)C(=O)C=4C(C2=O)=C(O)C=CC4O)C5=C(S(=O)(=O)O)C=C(C(C)(C)C)C=C5.[Na]

Canonical SMILES

[Na].O=C1C=2C(O)=CC=C(O)C2C(=O)C=3C(=CC=C(NC4=CC=C(C=C4)C(C)(C)C)C13)NC5=CC=C(C=C5S(=O)(=O)O)C(C)(C)C

Other Names for this Substance

  • 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]-, sodium salt (1:1)
  • 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

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