(1-methyl-4-oxidanylidene-5-prop-2-enyl-cyclopent-2-en-1-yl) octanoate

Systemtic Name: (1-methyl-4-oxidanylidene-5-prop-2-enyl-cyclopent-2-en-1-yl) octanoate Openeye Name: (5-allyl-1-methyl-4-oxo-cyclopent-2-en-1-yl) octanoate CAS Name: octanoic acid (1-methyl-4-oxo-5-prop-2-enyl-1-cyclopent-2-enyl) ester IUPAC Name: (1-methyl-4-oxo-5-prop-2-enylcyclopent-2-en-1-yl) octanoate Traditional Name: caprylic acid (5-allyl-4-keto-1-methyl-cyclopent-2-en-1-yl) ester Formula: C17H26O3 MolecularWeight: 278.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1(C=CC(=O)C1CC=C)C

Isomeric SMILES

CCCCCCCC(=O)OC1(C=CC(=O)C1CC=C)C

InChI

InChI=1S/C17H26O3/c1-4-6-7-8-9-11-16(19)20-17(3)13-12-15(18)14(17)10-5-2/h5,12-14H,2,4,6-11H2,1,3H3