2-methyl-7-[(1R,2R,3R)-2-[(E)-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 2-methyl-7-[(1R,2R,3R)-2-[(E)-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]-2-methyl-heptanoic acid CAS Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]-2-methylheptanoic acid IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]-2-methylheptanoic acid Traditional Name: 7-[(1R,2R,3R)-3-hydroxy-5-keto-2-[(E)-oct-1-enyl]cyclopentyl]-2-methyl-enanthic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1C(CC(=O)C1CCCCCC(C)C(=O)O)O

Isomeric SMILES

CCCCCC/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCC(C)C(=O)O)O

InChI

InChI=1S/C21H36O4/c1-3-4-5-6-7-10-13-17-18(20(23)15-19(17)22)14-11-8-9-12-16(2)21(24)25/h10,13,16-19,22H,3-9,11-12,14-15H2,1-2H3,(H,24,25)/b13-10+/t16?,17-,18-,19-/m1/s1