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

Systemtic Name: [5-(4-methylphenyl)sulfonyloxy-8-nitro-9,10-bis(oxidanylidene)-4-phenylazanyl-anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: [4-anilino-8-nitro-9,10-dioxo-5-(p-tolylsulfonyloxy)-1-anthryl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-anilino-5-(4-methylphenyl)sulfonyloxy-8-nitro-9,10-dioxo-1-anthracenyl] ester IUPAC Name: [4-anilino-5-(4-methylphenyl)sulfonyloxy-8-nitro-9,10-dioxoanthracen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-anilino-9,10-diketo-8-nitro-5-tosyloxy-1-anthryl) ester Formula: C34H24N2O10S2 MolecularWeight: 684.69176

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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=C4)C(=O)C5=C(C=CC(=C5C3=O)[N+](=O)[O-])OS(=O)(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)NC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)[N+](=O)[O-])OS(=O)(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C34H24N2O10S2/c1-20-8-12-23(13-9-20)47(41,42)45-27-18-16-25(35-22-6-4-3-5-7-22)29-31(27)34(38)30-26(36(39)40)17-19-28(32(30)33(29)37)46-48(43,44)24-14-10-21(2)11-15-24/h3-19,35H,1-2H3