Benzenesulfonic acid, 2,2'-[(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)diimino]bis[5-methyl-

2-[[4,8-dihydroxy-5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-5-methylbenzenesulfonic acid

CAS: 10449-13-5

Molecular Formula	`C28H22N2O10S2`
Molecular Weight	610.6 g/mol
LogP	5.7
Topological Polar Surface Area	224.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	610.0716
Heavy Atoms	42
Complexity	1150.0

Chemical Identifiers

CAS Number	10449-13-5
SMILES	`CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O`
InChIKey	`DOXXOFOESSOQBZ-UHFFFAOYSA-N`

📖 Product Overview

Benzenesulfonic acid, 2,2'-[(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)diimino]bis[5-methyl- (CAS: 10449-13-5) is a chemical compound with molecular formula C28H22N2O10S2 and molecular weight 610.6 g/mol. Its IUPAC systematic name is 2-[[4,8-dihydroxy-5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-5-methylbenzenesulfonic acid. LogP 5.7 Topological Polar Surface Area 224.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 12 Rotatable Bonds 6 Exact Mass 610.0716 Heavy Atoms 42 Complexity 1150.0 InChI Key: DOXXOFOESSOQBZ-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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