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

Systemtic Name: [2-[[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[[2-(4-tert-butylphenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[2-(4-tert-butylphenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [2-[[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[[2-(4-tert-butylphenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C27H25NO5S MolecularWeight: 475.5561

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO5S/c1-18-9-15-22(16-10-18)34(30,31)33-24-8-6-5-7-20(24)17-23-26(29)32-25(28-23)19-11-13-21(14-12-19)27(2,3)4/h5-17H,1-4H3