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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O4/c1-3-5-6-7-8-10-13-18-15-16-20(23)19(18)14-11-9-12-17-22(26,4-2)21(24)25/h10,13,18-19,26H,3-9,11-12,14-17H2,1-2H3,(H,24,25)/b13-10+/t18-,19+,22?/m0/s1