3-methanoyl-5,5-dimethyl-hexanoic acid

Systemtic Name: 3-methanoyl-5,5-dimethyl-hexanoic acid Openeye Name: 3-formyl-5,5-dimethyl-hexanoic acid CAS Name: 3-formyl-5,5-dimethylhexanoic acid IUPAC Name: 3-formyl-5,5-dimethylhexanoic acid Traditional Name: 3-formyl-5,5-dimethyl-hexanoic acid Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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