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

Systemtic Name: [4-[[2-(4-butoxyphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[[2-(4-butoxyphenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[2-(4-butoxyphenyl)-5-oxo-4-oxazolylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[[2-(4-butoxyphenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-2-ethoxy-phenyl] ester Formula: C29H29NO7S MolecularWeight: 535.60806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OCC)C(=O)O2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OCC)C(=O)O2

InChI

InChI=1S/C29H29NO7S/c1-4-6-17-35-23-12-10-22(11-13-23)28-30-25(29(31)36-28)18-21-9-16-26(27(19-21)34-5-2)37-38(32,33)24-14-7-20(3)8-15-24/h7-16,18-19H,4-6,17H2,1-3H3