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

Systemtic Name: 7-[(1R,2R,3R)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate Traditional Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-cyclopentyl]enanthate Formula: C21H35O5- MolecularWeight: 367.4996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h12,14,16-17,19,23,26H,3-11,13,15H2,1-2H3,(H,24,25)/p-1/b14-12+/t16-,17-,19-,21+/m1/s1