(E)-7-[3-cyano-2-[(1E)-7-methyl-3-oxidanyl-octa-1,6-dienyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-cyano-2-[(1E)-7-methyl-3-oxidanyl-octa-1,6-dienyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[3-cyano-2-[(1E)-3-hydroxy-7-methyl-octa-1,6-dienyl]-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[3-cyano-2-[(1E)-3-hydroxy-7-methylocta-1,6-dienyl]-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[3-cyano-2-[(1E)-3-hydroxy-7-methylocta-1,6-dienyl]-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[3-cyano-2-[(1E)-3-hydroxy-7-methyl-octa-1,6-dienyl]-5-keto-cyclopentyl]hept-5-enoic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)C#N)O)C

Isomeric SMILES

CC(=CCCC(/C=C/C1C(CC(=O)C1C/C=C/CCCC(=O)O)C#N)O)C

InChI

InChI=1S/C22H31NO4/c1-16(2)8-7-9-18(24)12-13-19-17(15-23)14-21(25)20(19)10-5-3-4-6-11-22(26)27/h3,5,8,12-13,17-20,24H,4,6-7,9-11,14H2,1-2H3,(H,26,27)/b5-3+,13-12+