methyl (E)-6-(4-methylphenyl)sulfonyl-4-oxidanylidene-7-phenyl-hept-2-enoate

Systemtic Name: methyl (E)-6-(4-methylphenyl)sulfonyl-4-oxidanylidene-7-phenyl-hept-2-enoate Openeye Name: methyl (E)-4-oxo-7-phenyl-6-(p-tolylsulfonyl)hept-2-enoate CAS Name: (E)-6-(4-methylphenyl)sulfonyl-4-oxo-7-phenyl-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-6-(4-methylphenyl)sulfonyl-4-oxo-7-phenylhept-2-enoate Traditional Name: (E)-4-keto-7-phenyl-6-tosyl-hept-2-enoic acid methyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)CC(=O)C=CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)CC(=O)/C=C/C(=O)OC

InChI

InChI=1S/C21H22O5S/c1-16-8-11-19(12-9-16)27(24,25)20(14-17-6-4-3-5-7-17)15-18(22)10-13-21(23)26-2/h3-13,20H,14-15H2,1-2H3/b13-10+