3-methylcyclohexene; (E)-2-methyl-3-oxidanylidene-hex-4-enoic acid

Systemtic Name: 3-methylcyclohexene; (E)-2-methyl-3-oxidanylidene-hex-4-enoic acid Openeye Name: 3-methylcyclohexene; (E)-2-methyl-3-oxo-hex-4-enoic acid CAS Name: 3-methylcyclohexene; (E)-2-methyl-3-oxo-4-hexenoic acid IUPAC Name: 3-methylcyclohexene; (E)-2-methyl-3-oxohex-4-enoic acid Traditional Name: (E)-3-keto-2-methyl-hex-4-enoic acid; 3-methylcyclohexene Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C(C)C(=O)O.CC1CCCC=C1

Isomeric SMILES

C/C=C/C(=O)C(C)C(=O)O.CC1CCCC=C1

InChI

InChI=1S/C7H10O3.C7H12/c1-3-4-6(8)5(2)7(9)10;1-7-5-3-2-4-6-7/h3-5H,1-2H3,(H,9,10);3,5,7H,2,4,6H2,1H3/b4-3+;