[6-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [6-chloro-2-(4-methoxyphenyl)-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-chloro-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-chloro-4-keto-2-(4-methoxyphenyl)chromen-3-yl] ester Formula: C23H17ClO6S MolecularWeight: 456.89548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClO6S/c1-14-3-10-18(11-4-14)31(26,27)30-23-21(25)19-13-16(24)7-12-20(19)29-22(23)15-5-8-17(28-2)9-6-15/h3-13H,1-2H3