[3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]cyclopentyl] benzoate

Systemtic Name: [3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]cyclopentyl] benzoate Openeye Name: [3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxo-hept-2-enyl]cyclopentyl] benzoate CAS Name: benzoic acid [3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] ester IUPAC Name: [3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] benzoate Traditional Name: benzoic acid [2-[(E)-7-keto-7-methoxy-hept-2-enyl]-3-methylol-cyclopentyl] ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CCC1OC(=O)C2=CC=CC=C2)CO

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CCC1OC(=O)C2=CC=CC=C2)CO

InChI

InChI=1S/C21H28O5/c1-25-20(23)12-8-3-2-7-11-18-17(15-22)13-14-19(18)26-21(24)16-9-5-4-6-10-16/h2,4-7,9-10,17-19,22H,3,8,11-15H2,1H3/b7-2+