[2-(4-chlorophenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-chlorophenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-chlorophenyl)-6-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-chlorophenyl)-6-methyl-4-oxochromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-chlorophenyl)-4-keto-6-methyl-chromen-3-yl] ester Formula: C23H17ClO5S MolecularWeight: 440.89608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClO5S/c1-14-3-10-18(11-4-14)30(26,27)29-23-21(25)19-13-15(2)5-12-20(19)28-22(23)16-6-8-17(24)9-7-16/h3-13H,1-2H3