[(E)-3,7-dimethyloct-5-enyl] 3-oxidanylidene-2-pentyl-cyclopentene-1-carboxylate

Systemtic Name: [(E)-3,7-dimethyloct-5-enyl] 3-oxidanylidene-2-pentyl-cyclopentene-1-carboxylate Openeye Name: [(E)-3,7-dimethyloct-5-enyl] 3-oxo-2-pentyl-cyclopentene-1-carboxylate CAS Name: 3-oxo-2-pentyl-1-cyclopentenecarboxylic acid [(E)-3,7-dimethyloct-5-enyl] ester IUPAC Name: [(E)-3,7-dimethyloct-5-enyl] 3-oxo-2-pentylcyclopentene-1-carboxylate Traditional Name: 2-amyl-3-keto-cyclopentene-1-carboxylic acid [(E)-3,7-dimethyloct-5-enyl] ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(CCC1=O)C(=O)OCCC(C)CC=CC(C)C

Isomeric SMILES

CCCCCC1=C(CCC1=O)C(=O)OCCC(C)C/C=C/C(C)C

InChI

InChI=1S/C21H34O3/c1-5-6-7-11-18-19(12-13-20(18)22)21(23)24-15-14-17(4)10-8-9-16(2)3/h8-9,16-17H,5-7,10-15H2,1-4H3/b9-8+