9-[5-[(E)-hept-1-enyl]-6-(9-oxidanyl-9-oxidanylidene-nonyl)-4-pentyl-cyclohex-2-en-1-yl]nonanoic acid

Systemtic Name: 9-[5-[(E)-hept-1-enyl]-6-(9-oxidanyl-9-oxidanylidene-nonyl)-4-pentyl-cyclohex-2-en-1-yl]nonanoic acid Openeye Name: 9-[5-[(E)-hept-1-enyl]-6-(9-hydroxy-9-oxo-nonyl)-4-pentyl-cyclohex-2-en-1-yl]nonanoic acid CAS Name: 9-[5-[(E)-hept-1-enyl]-6-(9-hydroxy-9-oxononyl)-4-pentyl-1-cyclohex-2-enyl]nonanoic acid IUPAC Name: 9-[5-[(E)-hept-1-enyl]-6-(9-hydroxy-9-oxononyl)-4-pentylcyclohex-2-en-1-yl]nonanoic acid Traditional Name: 9-[4-amyl-5-[(E)-hept-1-enyl]-6-(9-hydroxy-9-keto-nonyl)cyclohex-2-en-1-yl]pelargonic acid Formula: C36H64O4 MolecularWeight: 560.89096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC1C(C=CC(C1CCCCCCCCC(=O)O)CCCCCCCCC(=O)O)CCCCC

Isomeric SMILES

CCCCC/C=C/C1C(C=CC(C1CCCCCCCCC(=O)O)CCCCCCCCC(=O)O)CCCCC

InChI

InChI=1S/C36H64O4/c1-3-5-7-12-19-25-33-31(23-17-6-4-2)29-30-32(24-18-13-8-10-15-21-27-35(37)38)34(33)26-20-14-9-11-16-22-28-36(39)40/h19,25,29-34H,3-18,20-24,26-28H2,1-2H3,(H,37,38)(H,39,40)/b25-19+