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

Systemtic Name: [3-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-4-oxidanyl-cyclopentyl] benzoate Openeye Name: [4-hydroxy-3-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-2-[(E)-7-methoxy-7-oxo-hept-2-enyl]cyclopentyl] benzoate CAS Name: benzoic acid [4-hydroxy-3-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-2-[(E)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] ester IUPAC Name: [4-hydroxy-3-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-2-[(E)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] benzoate Traditional Name: benzoic acid [4-hydroxy-3-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-2-[(E)-7-keto-7-methoxy-hept-2-enyl]cyclopentyl] ester Formula: C30H44O6 MolecularWeight: 500.66676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1C(CC(C1CC=CCCCC(=O)OC)OC(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CCCCC(C)(C)C(/C=C/C1C(CC(C1C/C=C/CCCC(=O)OC)OC(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C30H44O6/c1-5-6-20-30(2,3)27(32)19-18-23-24(16-12-7-8-13-17-28(33)35-4)26(21-25(23)31)36-29(34)22-14-10-9-11-15-22/h7,9-12,14-15,18-19,23-27,31-32H,5-6,8,13,16-17,20-21H2,1-4H3/b12-7+,19-18+