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

Systemtic Name: 2-methyl-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-heptanoic acid Openeye Name: 2-hydroxy-2-methyl-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 2-hydroxy-2-methyl-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 2-hydroxy-2-methyl-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 2-hydroxy-7-[(1R,5R)-2-keto-5-[(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=CC1CCC(=O)C1CCCCCC(C)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4/c1-3-4-5-6-7-9-12-17-14-15-19(22)18(17)13-10-8-11-16-21(2,25)20(23)24/h9,12,17-18,25H,3-8,10-11,13-16H2,1-2H3,(H,23,24)/b12-9+/t17-,18+,21?/m0/s1