(3S,5R)-6-methoxy-3,5-dimethyl-6-oxidanylidene-hexanoic acid

Systemtic Name: (3S,5R)-6-methoxy-3,5-dimethyl-6-oxidanylidene-hexanoic acid Openeye Name: (3S,5R)-6-methoxy-3,5-dimethyl-6-oxo-hexanoic acid CAS Name: (3S,5R)-6-methoxy-3,5-dimethyl-6-oxohexanoic acid IUPAC Name: (3S,5R)-6-methoxy-3,5-dimethyl-6-oxohexanoic acid Traditional Name: (3S,5R)-6-keto-6-methoxy-3,5-dimethyl-hexanoic acid Formula: C9H16O4 MolecularWeight: 188.22094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4/c1-6(5-8(10)11)4-7(2)9(12)13-3/h6-7H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m0/s1