(phenylmethyl) (E,3R,4R)-3,4-dimethyl-3-oxidanyl-2-oxidanylidene-hept-5-enoate

Systemtic Name: (phenylmethyl) (E,3R,4R)-3,4-dimethyl-3-oxidanyl-2-oxidanylidene-hept-5-enoate Openeye Name: benzyl (E,3R,4R)-3-hydroxy-3,4-dimethyl-2-oxo-hept-5-enoate CAS Name: (E,3R,4R)-3-hydroxy-3,4-dimethyl-2-oxo-5-heptenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,3R,4R)-3-hydroxy-3,4-dimethyl-2-oxohept-5-enoate Traditional Name: (E,3R,4R)-3-hydroxy-2-keto-3,4-dimethyl-hept-5-enoic acid benzyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C)C(C)(C(=O)C(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

C/C=C/[C@@H](C)[C@](C)(C(=O)C(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C16H20O4/c1-4-8-12(2)16(3,19)14(17)15(18)20-11-13-9-6-5-7-10-13/h4-10,12,19H,11H2,1-3H3/b8-4+/t12-,16-/m1/s1