ethyl (2Z)-3-methyl-3-oxidanyl-4-oxidanylidene-2-(phenylmethylidene)hexanoate

Systemtic Name: ethyl (2Z)-3-methyl-3-oxidanyl-4-oxidanylidene-2-(phenylmethylidene)hexanoate Openeye Name: ethyl (2Z)-2-benzylidene-3-hydroxy-3-methyl-4-oxo-hexanoate CAS Name: (2Z)-3-hydroxy-3-methyl-4-oxo-2-(phenylmethylene)hexanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-benzylidene-3-hydroxy-3-methyl-4-oxohexanoate Traditional Name: (Z)-2-(1-hydroxy-2-keto-1-methyl-butyl)-3-phenyl-acrylic acid ethyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C(=CC1=CC=CC=C1)C(=O)OCC)O

Isomeric SMILES

CCC(=O)C(C)(/C(=C/C1=CC=CC=C1)/C(=O)OCC)O

InChI

InChI=1S/C16H20O4/c1-4-14(17)16(3,19)13(15(18)20-5-2)11-12-9-7-6-8-10-12/h6-11,19H,4-5H2,1-3H3/b13-11+