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

Systemtic Name: [8-nitro-9,10-bis(oxidanylidene)-4,5-bis(phenylazanyl)anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: (4,5-dianilino-8-nitro-9,10-dioxo-1-anthryl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4,5-dianilino-8-nitro-9,10-dioxo-1-anthracenyl) ester IUPAC Name: (4,5-dianilino-8-nitro-9,10-dioxoanthracen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,5-dianilino-9,10-diketo-8-nitro-1-anthryl) ester Formula: C33H23N3O7S MolecularWeight: 605.61662

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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-])NC6=CC=CC=C6

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-])NC6=CC=CC=C6

InChI

InChI=1S/C33H23N3O7S/c1-20-12-14-23(15-13-20)44(41,42)43-27-19-17-25(35-22-10-6-3-7-11-22)29-31(27)33(38)30-26(36(39)40)18-16-24(28(30)32(29)37)34-21-8-4-2-5-9-21/h2-19,34-35H,1H3