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

Systemtic Name: [4-[[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[[2-(4-tert-butylphenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[[2-(4-tert-butylphenyl)-5-oxo-4-oxazolylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[[2-(4-tert-butylphenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OC)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OC)C(=O)O2

InChI

InChI=1S/C27H25NO6S/c1-27(2,3)20-13-11-19(12-14-20)25-28-22(26(29)33-25)16-18-10-15-23(24(17-18)32-4)34-35(30,31)21-8-6-5-7-9-21/h5-17H,1-4H3