methyl (E)-2,5,5-trimethyl-4-oxidanylidene-3-phenylsulfanyl-hex-2-enoate

Systemtic Name: methyl (E)-2,5,5-trimethyl-4-oxidanylidene-3-phenylsulfanyl-hex-2-enoate Openeye Name: methyl (E)-2,5,5-trimethyl-4-oxo-3-phenylsulfanyl-hex-2-enoate CAS Name: (E)-2,5,5-trimethyl-4-oxo-3-(phenylthio)-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-2,5,5-trimethyl-4-oxo-3-phenylsulfanylhex-2-enoate Traditional Name: (E)-4-keto-2,5,5-trimethyl-3-(phenylthio)hex-2-enoic acid methyl ester Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C(C)(C)C)SC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

C/C(=C(/C(=O)C(C)(C)C)\SC1=CC=CC=C1)/C(=O)OC

InChI

InChI=1S/C16H20O3S/c1-11(15(18)19-5)13(14(17)16(2,3)4)20-12-9-7-6-8-10-12/h6-10H,1-5H3/b13-11+