[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3-[(E)-7-methoxy-7-oxidanylidene-hept-3-enyl]-4-phenoxy-cyclopentyl] 4-phenylbenzoate

Systemtic Name: [2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3-[(E)-7-methoxy-7-oxidanylidene-hept-3-enyl]-4-phenoxy-cyclopentyl] 4-phenylbenzoate Openeye Name: [2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-3-[(E)-7-methoxy-7-oxo-hept-3-enyl]-4-phenoxy-cyclopentyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-3-[(E)-7-methoxy-7-oxohept-3-enyl]-4-phenoxycyclopentyl] ester IUPAC Name: [2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-3-[(E)-7-methoxy-7-oxohept-3-enyl]-4-phenoxycyclopentyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-3-[(E)-7-keto-7-methoxy-hept-3-enyl]-4-phenoxy-cyclopentyl] ester Formula: C42H52O6 MolecularWeight: 652.85868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1C(CC(C1CCC=CCCC(=O)OC)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCC(C)(C)C(/C=C/C1C(CC(C1CC/C=C/CCC(=O)OC)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C42H52O6/c1-5-6-29-42(2,3)39(43)28-27-36-35(21-15-7-8-16-22-40(44)46-4)37(47-34-19-13-10-14-20-34)30-38(36)48-41(45)33-25-23-32(24-26-33)31-17-11-9-12-18-31/h7-14,17-20,23-28,35-39,43H,5-6,15-16,21-22,29-30H2,1-4H3/b8-7+,28-27+