3,5-dimethyl-7-oxidanylidene-heptanoic acid

Systemtic Name: 3,5-dimethyl-7-oxidanylidene-heptanoic acid Openeye Name: 3,5-dimethyl-7-oxo-heptanoic acid CAS Name: 3,5-dimethyl-7-oxoheptanoic acid IUPAC Name: 3,5-dimethyl-7-oxoheptanoic acid Traditional Name: 7-keto-3,5-dimethyl-enanthic acid Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O3/c1-7(3-4-10)5-8(2)6-9(11)12/h4,7-8H,3,5-6H2,1-2H3,(H,11,12)