[3-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-2-[(E)-3-oxidanyloct-1-enyl]-4-phenoxy-cyclopentyl] 4-phenylbenzoate

Systemtic Name: [3-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-2-[(E)-3-oxidanyloct-1-enyl]-4-phenoxy-cyclopentyl] 4-phenylbenzoate Openeye Name: [2-[(E)-3-hydroxyoct-1-enyl]-3-[(E)-7-methoxy-7-oxo-hept-2-enyl]-4-phenoxy-cyclopentyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[(E)-3-hydroxyoct-1-enyl]-3-[(E)-7-methoxy-7-oxohept-2-enyl]-4-phenoxycyclopentyl] ester IUPAC Name: [2-[(E)-3-hydroxyoct-1-enyl]-3-[(E)-7-methoxy-7-oxohept-2-enyl]-4-phenoxycyclopentyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-[(E)-3-hydroxyoct-1-enyl]-3-[(E)-7-keto-7-methoxy-hept-2-enyl]-4-phenoxy-cyclopentyl] ester Formula: C40H48O6 MolecularWeight: 624.80552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)OC)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(C1C/C=C/CCCC(=O)OC)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C40H48O6/c1-3-4-9-18-33(41)27-28-36-35(21-14-5-6-15-22-39(42)44-2)37(45-34-19-12-8-13-20-34)29-38(36)46-40(43)32-25-23-31(24-26-32)30-16-10-7-11-17-30/h5,7-8,10-14,16-17,19-20,23-28,33,35-38,41H,3-4,6,9,15,18,21-22,29H2,1-2H3/b14-5+,28-27+