(E)-7-(1-methyl-2-octyl-3-oxidanyl-5-oxidanylidene-cyclopentyl)hept-2-enoic acid

Systemtic Name: (E)-7-(1-methyl-2-octyl-3-oxidanyl-5-oxidanylidene-cyclopentyl)hept-2-enoic acid Openeye Name: (E)-7-(3-hydroxy-1-methyl-2-octyl-5-oxo-cyclopentyl)hept-2-enoic acid CAS Name: (E)-7-(3-hydroxy-1-methyl-2-octyl-5-oxocyclopentyl)-2-heptenoic acid IUPAC Name: (E)-7-(3-hydroxy-1-methyl-2-octyl-5-oxocyclopentyl)hept-2-enoic acid Traditional Name: (E)-7-(3-hydroxy-5-keto-1-methyl-2-octyl-cyclopentyl)hept-2-enoic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CC(=O)C1(C)CCCCC=CC(=O)O)O

Isomeric SMILES

CCCCCCCCC1C(CC(=O)C1(C)CCCC/C=C/C(=O)O)O

InChI

InChI=1S/C21H36O4/c1-3-4-5-6-7-10-13-17-18(22)16-19(23)21(17,2)15-12-9-8-11-14-20(24)25/h11,14,17-18,22H,3-10,12-13,15-16H2,1-2H3,(H,24,25)/b14-11+