[4-(diethylamino)-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(diethylamino)-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: [4-(diethylamino)-9,10-dioxo-1-anthryl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(diethylamino)-9,10-dioxo-1-anthracenyl] ester IUPAC Name: [4-(diethylamino)-9,10-dioxoanthracen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(diethylamino)-9,10-diketo-1-anthryl] ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=C(C=C1)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CCN(CC)C1=C2C(=C(C=C1)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C25H23NO5S/c1-4-26(5-2)20-14-15-21(31-32(29,30)17-12-10-16(3)11-13-17)23-22(20)24(27)18-8-6-7-9-19(18)25(23)28/h6-15H,4-5H2,1-3H3