2,2,5-trimethyl-4-oxidanylidene-hex-5-enoic acid

Systemtic Name: 2,2,5-trimethyl-4-oxidanylidene-hex-5-enoic acid Openeye Name: 2,2,5-trimethyl-4-oxo-hex-5-enoic acid CAS Name: 2,2,5-trimethyl-4-oxo-5-hexenoic acid IUPAC Name: 2,2,5-trimethyl-4-oxohex-5-enoic acid Traditional Name: 4-keto-2,2,5-trimethyl-hex-5-enoic acid Formula: C9H14O3 MolecularWeight: 170.20566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O3/c1-6(2)7(10)5-9(3,4)8(11)12/h1,5H2,2-4H3,(H,11,12)