(3-methylphenyl) 4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxybenzenesulfonate

Systemtic Name: (3-methylphenyl) 4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxybenzenesulfonate Openeye Name: m-tolyl 4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]benzenesulfonate CAS Name: 4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]benzenesulfonic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxybenzenesulfonate Traditional Name: 4-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]benzenesulfonic acid m-tolyl ester Formula: C27H19NO7S MolecularWeight: 501.50726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C27H19NO7S/c1-15-5-4-6-17(13-15)35-36(32,33)18-11-9-16(10-12-18)34-22-14-21(29)23-24(25(22)28)27(31)20-8-3-2-7-19(20)26(23)30/h2-14,29H,28H2,1H3