propan-2-yl 6,6-dimethyl-5-oxidanyl-3-oxidanylidene-heptanoate

Systemtic Name: propan-2-yl 6,6-dimethyl-5-oxidanyl-3-oxidanylidene-heptanoate Openeye Name: isopropyl 5-hydroxy-6,6-dimethyl-3-oxo-heptanoate CAS Name: 5-hydroxy-6,6-dimethyl-3-oxoheptanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-hydroxy-6,6-dimethyl-3-oxoheptanoate Traditional Name: 5-hydroxy-3-keto-6,6-dimethyl-enanthic acid isopropyl ester Formula: C12H22O4 MolecularWeight: 230.30068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O4/c1-8(2)16-11(15)7-9(13)6-10(14)12(3,4)5/h8,10,14H,6-7H2,1-5H3