[2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-4-(oxan-2-yloxy)cyclopentyl] benzoate

Systemtic Name: [2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-4-(oxan-2-yloxy)cyclopentyl] benzoate Openeye Name: [2-[(E)-7-methoxy-7-oxo-hept-2-enyl]-4-tetrahydropyran-2-yloxy-cyclopentyl] benzoate CAS Name: benzoic acid [2-[(E)-7-methoxy-7-oxohept-2-enyl]-4-(2-oxanyloxy)cyclopentyl] ester IUPAC Name: [2-[(E)-7-methoxy-7-oxohept-2-enyl]-4-(oxan-2-yloxy)cyclopentyl] benzoate Traditional Name: benzoic acid [2-[(E)-7-keto-7-methoxy-hept-2-enyl]-4-tetrahydropyran-2-yloxy-cyclopentyl] ester Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1CC(CC1OC(=O)C2=CC=CC=C2)OC3CCCCO3

Isomeric SMILES

COC(=O)CCC/C=C/CC1CC(CC1OC(=O)C2=CC=CC=C2)OC3CCCCO3

InChI

InChI=1S/C25H34O6/c1-28-23(26)14-8-3-2-5-13-20-17-21(30-24-15-9-10-16-29-24)18-22(20)31-25(27)19-11-6-4-7-12-19/h2,4-7,11-12,20-22,24H,3,8-10,13-18H2,1H3/b5-2+