[(E,3S)-1-[2-(8-methoxy-8-oxidanylidene-octyl)-3-oxidanylidene-cyclopenten-1-yl]pent-1-en-3-yl] benzoate

Systemtic Name: [(E,3S)-1-[2-(8-methoxy-8-oxidanylidene-octyl)-3-oxidanylidene-cyclopenten-1-yl]pent-1-en-3-yl] benzoate Openeye Name: [(E,1S)-1-ethyl-3-[2-(8-methoxy-8-oxo-octyl)-3-oxo-cyclopenten-1-yl]allyl] benzoate CAS Name: benzoic acid [(E,3S)-1-[2-(8-methoxy-8-oxooctyl)-3-oxo-1-cyclopentenyl]pent-1-en-3-yl] ester IUPAC Name: [(E,3S)-1-[2-(8-methoxy-8-oxooctyl)-3-oxocyclopenten-1-yl]pent-1-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1S)-1-ethyl-3-[3-keto-2-(8-keto-8-methoxy-octyl)cyclopenten-1-yl]allyl] ester Formula: C26H34O5 MolecularWeight: 426.54516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC1=C(C(=O)CC1)CCCCCCCC(=O)OC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](/C=C/C1=C(C(=O)CC1)CCCCCCCC(=O)OC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H34O5/c1-3-22(31-26(29)21-12-8-7-9-13-21)18-16-20-17-19-24(27)23(20)14-10-5-4-6-11-15-25(28)30-2/h7-9,12-13,16,18,22H,3-6,10-11,14-15,17,19H2,1-2H3/b18-16+/t22-/m0/s1