[2-[[2-(4-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[[2-(4-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[[2-(4-chlorophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[2-(4-chlorophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [2-[[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[[2-(4-chlorophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C23H16ClNO5S MolecularWeight: 453.89484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)OC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)OC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H16ClNO5S/c1-15-6-12-19(13-7-15)31(27,28)30-21-5-3-2-4-17(21)14-20-23(26)29-22(25-20)16-8-10-18(24)11-9-16/h2-14H,1H3