Benzenesulfonic acid, 2-[[9,10-dihydro-8-hydroxy-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-(1,1-dimethylethyl)-, sodium salt (1:1)

CAS Registry Number®

83027-44-5

CAS Name

Benzenesulfonic acid, 2-[[9,10-dihydro-8-hydroxy-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-(1,1-dimethylethyl)-, sodium salt (1:1)

Molecular Formula

C27H28N2O6S.Na

Cite this Page

Benzenesulfonic acid, 2-[[9,10-dihydro-8-hydroxy-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-(1,1-dimethylethyl)-, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83027-44-5 (retrieved 2024-11-13) (CAS RN: 83027-44-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28N2O6S.Na/c1-14(2)28-18-11-12-19(24-23(18)25(31)16-7-6-8-20(30)22(16)26(24)32)29-17-10-9-15(27(3,4)5)13-21(17)36(33,34)35;/h6-14,28-30H,1-5H3,(H,33,34,35);

InChIKey

InChIKey=QZACHQZBIBNZQN-UHFFFAOYSA-N

SMILES

N(C1=C2C(=C(NC(C)C)C=C1)C(=O)C=3C(C2=O)=C(O)C=CC3)C4=C(S(=O)(=O)O)C=C(C(C)(C)C)C=C4.[Na]

Canonical SMILES

[Na].O=C1C=2C=CC=C(O)C2C(=O)C=3C(=CC=C(NC(C)C)C13)NC4=CC=C(C=C4S(=O)(=O)O)C(C)(C)C

Other Names for this Substance

  • Benzenesulfonic acid, 2-[[9,10-dihydro-8-hydroxy-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-(1,1-dimethylethyl)-, sodium salt (1:1)
  • Benzenesulfonic acid, 2-[[9,10-dihydro-8-hydroxy-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthracenyl]amino]-5-(1,1-dimethylethyl)-, monosodium salt

CAS INSIGHTSTM
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