(E)-4,4-dimethyl-5-oxidanylidene-hept-2-enoic acid

Systemtic Name: (E)-4,4-dimethyl-5-oxidanylidene-hept-2-enoic acid Openeye Name: (E)-4,4-dimethyl-5-oxo-hept-2-enoic acid CAS Name: (E)-4,4-dimethyl-5-oxo-2-heptenoic acid IUPAC Name: (E)-4,4-dimethyl-5-oxohept-2-enoic acid Traditional Name: (E)-5-keto-4,4-dimethyl-hept-2-enoic acid Formula: C9H14O3 MolecularWeight: 170.20566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)C(C)(C)/C=C/C(=O)O

InChI

InChI=1S/C9H14O3/c1-4-7(10)9(2,3)6-5-8(11)12/h5-6H,4H2,1-3H3,(H,11,12)/b6-5+