(E)-7-[(3S)-3-cyano-2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanylidene-hept-5-enoic acid

Systemtic Name: (E)-7-[(3S)-3-cyano-2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanylidene-hept-5-enoic acid Openeye Name: (E)-7-[(3S)-3-cyano-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopentyl]-2-oxo-hept-5-enoic acid CAS Name: (E)-7-[(3S)-3-cyano-2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]-2-oxo-5-heptenoic acid IUPAC Name: (E)-7-[(3S)-3-cyano-2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]-2-oxohept-5-enoic acid Traditional Name: (E)-7-[(3S)-3-cyano-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-cyclopentyl]-2-keto-hept-5-enoic acid Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C=CC1C(CC(=O)C1CC=CCCC(=O)C(=O)O)C#N)O

Isomeric SMILES

CCCCCC(C)(/C=C/C1[C@H](CC(=O)C1C/C=C/CCC(=O)C(=O)O)C#N)O

InChI

InChI=1S/C22H31NO5/c1-3-4-8-12-22(2,28)13-11-17-16(15-23)14-20(25)18(17)9-6-5-7-10-19(24)21(26)27/h5-6,11,13,16-18,28H,3-4,7-10,12,14H2,1-2H3,(H,26,27)/b6-5+,13-11+/t16-,17?,18?,22?/m1/s1