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

Systemtic Name: sodium [[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-phenyl-methanesulfonate Openeye Name: sodium [(4-hydroxy-9,10-dioxo-1-anthryl)amino]-phenyl-methanesulfonate CAS Name: sodium [(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-phenylmethanesulfonate IUPAC Name: sodium [(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-phenylmethanesulfonate Traditional Name: sodium [(4-hydroxy-9,10-diketo-1-anthryl)amino]-phenyl-methanesulfonate Formula: C21H14NNaO6S MolecularWeight: 431.39373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO6S.Na/c23-16-11-10-15(22-21(29(26,27)28)12-6-2-1-3-7-12)17-18(16)20(25)14-9-5-4-8-13(14)19(17)24;/h1-11,21-23H,(H,26,27,28);/q;+1/p-1