3,6-dimethyl-5-oxidanylidene-heptanoic acid

Systemtic Name: 3,6-dimethyl-5-oxidanylidene-heptanoic acid Openeye Name: 3,6-dimethyl-5-oxo-heptanoic acid CAS Name: 3,6-dimethyl-5-oxoheptanoic acid IUPAC Name: 3,6-dimethyl-5-oxoheptanoic acid Traditional Name: 5-keto-3,6-dimethyl-enanthic acid Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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