[9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: [4-(isopropylamino)-9,10-dioxo-1-anthryl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [9,10-dioxo-4-(propan-2-ylamino)-1-anthracenyl] ester IUPAC Name: [9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(isopropylamino)-9,10-diketo-1-anthryl] ester Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)NC(C)C)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)NC(C)C)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H21NO5S/c1-14(2)25-19-12-13-20(30-31(28,29)16-10-8-15(3)9-11-16)22-21(19)23(26)17-6-4-5-7-18(17)24(22)27/h4-14,25H,1-3H3