3-[(1R,2R,3S)-3-oxidanyl-5-oxidanylidene-2-[(E)-8-oxidanyloct-1-enyl]cyclopentyl]propanenitrile

Systemtic Name: 3-[(1R,2R,3S)-3-oxidanyl-5-oxidanylidene-2-[(E)-8-oxidanyloct-1-enyl]cyclopentyl]propanenitrile Openeye Name: 3-[(1R,2R,3S)-3-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]propanenitrile CAS Name: 3-[(1R,2R,3S)-3-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-5-oxocyclopentyl]propanenitrile IUPAC Name: 3-[(1R,2R,3S)-3-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-5-oxocyclopentyl]propanenitrile Traditional Name: 3-[(1R,2R,3S)-3-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-5-keto-cyclopentyl]propionitrile Formula: C16H25NO3 MolecularWeight: 279.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1=O)CCC#N)C=CCCCCCCO)O

Isomeric SMILES

C1[C@@H]([C@@H]([C@H](C1=O)CCC#N)/C=C/CCCCCCO)O

InChI

InChI=1S/C16H25NO3/c17-10-7-9-14-13(15(19)12-16(14)20)8-5-3-1-2-4-6-11-18/h5,8,13-15,18-19H,1-4,6-7,9,11-12H2/b8-5+/t13-,14-,15+/m1/s1