7-[(1R,2S)-2-[(E,3R)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]heptanoate

Systemtic Name: 7-[(1R,2S)-2-[(E,3R)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]heptanoate Openeye Name: 7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]heptanoate CAS Name: 7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]heptanoate IUPAC Name: 7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoate Traditional Name: 7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-cyclopent-3-en-1-yl]enanthate Formula: C22H35O4- MolecularWeight: 363.5109

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1C=CC(=O)C1CCCCCCC(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h12-15,17-18,20,24H,4-11,16H2,1-3H3,(H,25,26)/p-1/b15-13+/t17-,18-,20-/m1/s1