propan-2-yl (E)-6-methyl-5-oxidanyl-3-oxidanylidene-oct-6-enoate

Systemtic Name: propan-2-yl (E)-6-methyl-5-oxidanyl-3-oxidanylidene-oct-6-enoate Openeye Name: isopropyl (E)-5-hydroxy-6-methyl-3-oxo-oct-6-enoate CAS Name: (E)-5-hydroxy-6-methyl-3-oxo-6-octenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-5-hydroxy-6-methyl-3-oxooct-6-enoate Traditional Name: (E)-5-hydroxy-3-keto-6-methyl-oct-6-enoic acid isopropyl ester Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(CC(=O)CC(=O)OC(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4/c1-5-9(4)11(14)6-10(13)7-12(15)16-8(2)3/h5,8,11,14H,6-7H2,1-4H3/b9-5+