[4,5-bis[(2-methylphenyl)amino]-8-nitro-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [4,5-bis[(2-methylphenyl)amino]-8-nitro-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: [4,5-bis(2-methylanilino)-8-nitro-9,10-dioxo-1-anthryl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,5-bis(2-methylanilino)-8-nitro-9,10-dioxo-1-anthracenyl] ester IUPAC Name: [4,5-bis(2-methylanilino)-8-nitro-9,10-dioxoanthracen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [9,10-diketo-8-nitro-4,5-bis(o-toluidino)-1-anthryl] ester Formula: C35H27N3O7S MolecularWeight: 633.66978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)NC4=CC=CC=C4C)C(=O)C5=C(C=CC(=C5C3=O)[N+](=O)[O-])NC6=CC=CC=C6C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)NC4=CC=CC=C4C)C(=O)C5=C(C=CC(=C5C3=O)[N+](=O)[O-])NC6=CC=CC=C6C

InChI

InChI=1S/C35H27N3O7S/c1-20-12-14-23(15-13-20)46(43,44)45-29-19-17-27(37-25-11-7-5-9-22(25)3)31-33(29)35(40)32-28(38(41)42)18-16-26(30(32)34(31)39)36-24-10-6-4-8-21(24)2/h4-19,36-37H,1-3H3