[(3S,5S)-2,5,6-trimethyl-6-oxidanyl-heptan-3-yl] ethanoate

Systemtic Name: [(3S,5S)-2,5,6-trimethyl-6-oxidanyl-heptan-3-yl] ethanoate Openeye Name: [(1S,3S)-4-hydroxy-1-isopropyl-3,4-dimethyl-pentyl] acetate CAS Name: acetic acid [(3S,5S)-6-hydroxy-2,5,6-trimethylheptan-3-yl] ester IUPAC Name: [(3S,5S)-6-hydroxy-2,5,6-trimethylheptan-3-yl] acetate Traditional Name: acetic acid [(1S,3S)-4-hydroxy-1-isopropyl-3,4-dimethyl-pentyl] ester Formula: C12H24O3 MolecularWeight: 216.31716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C[C@@H](C(C)C)OC(=O)C)C(C)(C)O

InChI

InChI=1S/C12H24O3/c1-8(2)11(15-10(4)13)7-9(3)12(5,6)14/h8-9,11,14H,7H2,1-6H3/t9-,11-/m0/s1