methyl (E)-7-[5-[(E)-3-oxidanylideneoct-1-enyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[5-[(E)-3-oxidanylideneoct-1-enyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoate Openeye Name: methyl (E)-7-[5-[(E)-3-oxooct-1-enyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoate CAS Name: (E)-7-[5-[(E)-3-oxooct-1-enyl]-4-phenyl-1-cyclopentenyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[5-[(E)-3-oxooct-1-enyl]-4-phenylcyclopenten-1-yl]hept-5-enoate Traditional Name: (E)-7-[5-[(E)-3-ketooct-1-enyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid methyl ester Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36O3/c1-3-4-8-16-24(28)19-21-26-23(15-9-5-6-12-17-27(29)30-2)18-20-25(26)22-13-10-7-11-14-22/h5,7,9-11,13-14,18-19,21,25-26H,3-4,6,8,12,15-17,20H2,1-2H3/b9-5+,21-19+