(2R,4S)-2,4-dimethyl-5-oxidanylidene-heptanoic acid

Systemtic Name: (2R,4S)-2,4-dimethyl-5-oxidanylidene-heptanoic acid Openeye Name: (2R,4S)-2,4-dimethyl-5-oxo-heptanoic acid CAS Name: (2R,4S)-2,4-dimethyl-5-oxoheptanoic acid IUPAC Name: (2R,4S)-2,4-dimethyl-5-oxoheptanoic acid Traditional Name: (2R,4S)-5-keto-2,4-dimethyl-enanthic acid Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O3/c1-4-8(10)6(2)5-7(3)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m0/s1