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

Systemtic Name: [4-[[2-(furan-2-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[[2-(2-furyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[2-(2-furanyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [4-[[2-(furan-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[[2-(2-furyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C21H15NO6S MolecularWeight: 409.4119

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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=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)OC(=N3)C4=CC=CO4

InChI

InChI=1S/C21H15NO6S/c1-14-4-10-17(11-5-14)29(24,25)28-16-8-6-15(7-9-16)13-18-21(23)27-20(22-18)19-3-2-12-26-19/h2-13H,1H3