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

Systemtic Name: 4-ethyl-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-heptanoic acid Openeye Name: 4-ethyl-2-hydroxy-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 4-ethyl-2-hydroxy-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 4-ethyl-2-hydroxy-7-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 4-ethyl-2-hydroxy-7-[(1R,5R)-2-keto-5-[(E)-oct-1-enyl]cyclopentyl]enanthic acid Formula: C22H38O4 MolecularWeight: 366.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1CCC(=O)C1CCCC(CC)CC(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H38O4/c1-3-5-6-7-8-9-12-18-14-15-20(23)19(18)13-10-11-17(4-2)16-21(24)22(25)26/h9,12,17-19,21,24H,3-8,10-11,13-16H2,1-2H3,(H,25,26)/b12-9+/t17?,18-,19+,21?/m0/s1