[4-bromanyl-2-[[2-(4-methylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] benzenesulfonate

Systemtic Name: [4-bromanyl-2-[[2-(4-methylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] benzenesulfonate Openeye Name: [4-bromo-2-[[5-oxo-2-(p-tolyl)oxazol-4-ylidene]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-bromo-2-[[2-(4-methylphenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-bromo-2-[[5-keto-2-(p-tolyl)-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C23H16BrNO5S MolecularWeight: 498.34584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC3=C(C=CC(=C3)Br)OS(=O)(=O)C4=CC=CC=C4)C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CC3=C(C=CC(=C3)Br)OS(=O)(=O)C4=CC=CC=C4)C(=O)O2

InChI

InChI=1S/C23H16BrNO5S/c1-15-7-9-16(10-8-15)22-25-20(23(26)29-22)14-17-13-18(24)11-12-21(17)30-31(27,28)19-5-3-2-4-6-19/h2-14H,1H3