C.I. 63340

disodium;2-[[4,8-dihydroxy-5-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]-5-methylbenzenesulfonate

CAS: 6586-04-5

Molecular Formula	`C28H20N2Na2O10S2`
Molecular Weight	654.6 g/mol
Topological Polar Surface Area	230.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	4
Exact Mass	654.03546
Heavy Atoms	44
Complexity	1130.0

Chemical Identifiers

CAS Number	6586-04-5
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-].[Na+].[Na+]`
InChIKey	`LSOBEVFVUSIMGA-UHFFFAOYSA-L`

📖 Product Overview

C.I. 63340 (CAS: 6586-04-5) is a chemical compound with molecular formula C28H20N2Na2O10S2 and molecular weight 654.6 g/mol. Its IUPAC systematic name is disodium;2-[[4,8-dihydroxy-5-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]-5-methylbenzenesulfonate. Topological Polar Surface Area 230.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 4 Exact Mass 654.03546 Heavy Atoms 44 Complexity 1130.0 InChI Key: LSOBEVFVUSIMGA-UHFFFAOYSA-L. 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-].[Na+].[Na+].

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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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