1-methyl-6-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 1-methyl-6-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 6-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]-1-methyl-cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 6-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-1-methyl-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 6-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-1-methylcyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 6-[(4-hydroxy-9,10-diketo-1-anthryl)amino]-1-methyl-cyclohexa-2,4-diene-1-sulfonic acid Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=CC1NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O

Isomeric SMILES

CC1(C=CC=CC1NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O

InChI

InChI=1S/C21H17NO6S/c1-21(29(26,27)28)11-5-4-8-16(21)22-14-9-10-15(23)18-17(14)19(24)12-6-2-3-7-13(12)20(18)25/h2-11,16,22-23H,1H3,(H,26,27,28)