sodium 2-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate

Systemtic Name: sodium 2-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate Openeye Name: sodium 2-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]benzenesulfonate CAS Name: sodium 2-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]benzenesulfonate IUPAC Name: sodium 2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]benzenesulfonate Traditional Name: sodium 2-[(4-hydroxy-9,10-diketo-1-anthryl)amino]besylate Formula: C20H12NNaO6S MolecularWeight: 417.36715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NC4=CC=CC=C4S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NC4=CC=CC=C4S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H13NO6S.Na/c22-15-10-9-14(21-13-7-3-4-8-16(13)28(25,26)27)17-18(15)20(24)12-6-2-1-5-11(12)19(17)23;/h1-10,21-22H,(H,25,26,27);/q;+1/p-1