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

Systemtic Name: [4-[[2-(4-fluorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[[2-(4-fluorophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[2-(4-fluorophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [4-[[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[[2-(4-fluorophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C23H16FNO5S MolecularWeight: 437.440243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H16FNO5S/c1-15-2-12-20(13-3-15)31(27,28)30-19-10-4-16(5-11-19)14-21-23(26)29-22(25-21)17-6-8-18(24)9-7-17/h2-14H,1H3