[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: (4,5-dihydroxy-9,10-dioxo-1-anthryl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4,5-dihydroxy-9,10-dioxo-1-anthracenyl) ester IUPAC Name: (4,5-dihydroxy-9,10-dioxoanthracen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,5-dihydroxy-9,10-diketo-1-anthryl) ester Formula: C21H14O7S MolecularWeight: 410.39666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)C=CC=C4O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)O)C(=O)C4=C(C3=O)C=CC=C4O

InChI

InChI=1S/C21H14O7S/c1-11-5-7-12(8-6-11)29(26,27)28-16-10-9-15(23)18-19(16)20(24)13-3-2-4-14(22)17(13)21(18)25/h2-10,22-23H,1H3