[2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-oxo-2-(p-tolyl)chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-methylphenyl)-4-oxochromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-keto-2-(p-tolyl)chromen-3-yl] ester Formula: C23H18O5S MolecularWeight: 406.45102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H18O5S/c1-15-7-11-17(12-8-15)22-23(21(24)19-5-3-4-6-20(19)27-22)28-29(25,26)18-13-9-16(2)10-14-18/h3-14H,1-2H3