7-[(1S,2S)-2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]cyclopentyl]heptanoate

Systemtic Name: 7-[(1S,2S)-2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]cyclopentyl]heptanoate Openeye Name: 7-[(1S,2S)-2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]heptanoate CAS Name: 7-[(1S,2S)-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]heptanoate IUPAC Name: 7-[(1S,2S)-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]heptanoate Traditional Name: 7-[(1S,2S)-2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]enanthate Formula: C22H39O3- MolecularWeight: 351.54326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1CCCC1CCCCCCC(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C22H40O3/c1-4-5-17-22(2,3)20(23)16-15-19-13-10-12-18(19)11-8-6-7-9-14-21(24)25/h15-16,18-20,23H,4-14,17H2,1-3H3,(H,24,25)/p-1/b16-15+/t18-,19+,20?/m0/s1