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.NaCite 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 ) (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