[(3S,6R)-3,7-dimethyl-6,7-bis(oxidanyl)octyl] ethanoate

Systemtic Name: [(3S,6R)-3,7-dimethyl-6,7-bis(oxidanyl)octyl] ethanoate Openeye Name: [(3S,6R)-6,7-dihydroxy-3,7-dimethyl-octyl] acetate CAS Name: acetic acid [(3S,6R)-6,7-dihydroxy-3,7-dimethyloctyl] ester IUPAC Name: [(3S,6R)-6,7-dihydroxy-3,7-dimethyloctyl] acetate Traditional Name: acetic acid [(3S,6R)-6,7-dihydroxy-3,7-dimethyl-octyl] ester Formula: C12H24O4 MolecularWeight: 232.31656

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)(C)O)O)CCOC(=O)C

Isomeric SMILES

C[C@@H](CC[C@H](C(C)(C)O)O)CCOC(=O)C

InChI

InChI=1S/C12H24O4/c1-9(7-8-16-10(2)13)5-6-11(14)12(3,4)15/h9,11,14-15H,5-8H2,1-4H3/t9-,11+/m0/s1