sodium 3-methyl-5-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate

Systemtic Name: sodium 3-methyl-5-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate Openeye Name: sodium 3-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]-5-methyl-benzenesulfonate CAS Name: sodium 3-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methylbenzenesulfonate IUPAC Name: sodium 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate Traditional Name: sodium 3-[(4-hydroxy-9,10-diketo-1-anthryl)amino]-5-methyl-besylate Formula: C21H14NNaO6S MolecularWeight: 431.39373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.[Na+]

InChI

InChI=1S/C21H15NO6S.Na/c1-11-8-12(10-13(9-11)29(26,27)28)22-16-6-7-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25;/h2-10,22-23H,1H3,(H,26,27,28);/q;+1/p-1