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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1CCC(=O)C1CCCCC(C)C(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4/c1-3-4-5-6-7-8-12-17-14-15-19(22)18(17)13-10-9-11-16(2)20(23)21(24)25/h8,12,16-18,20,23H,3-7,9-11,13-15H2,1-2H3,(H,24,25)/b12-8+/t16?,17-,18+,20?/m0/s1