7-[(1R,2S,3R)-2-[(3S,5R)-5-methyl-3-oxidanyl-non-1-ynyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-ynoic acid

Systemtic Name: 7-[(1R,2S,3R)-2-[(3S,5R)-5-methyl-3-oxidanyl-non-1-ynyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-ynoic acid Openeye Name: 7-[(1R,2S,3R)-3-hydroxy-2-[(3S,5R)-3-hydroxy-5-methyl-non-1-ynyl]-5-oxo-cyclopentyl]hept-2-ynoic acid CAS Name: 7-[(1R,2S,3R)-3-hydroxy-2-[(3S,5R)-3-hydroxy-5-methylnon-1-ynyl]-5-oxocyclopentyl]-2-heptynoic acid IUPAC Name: 7-[(1R,2S,3R)-3-hydroxy-2-[(3S,5R)-3-hydroxy-5-methylnon-1-ynyl]-5-oxocyclopentyl]hept-2-ynoic acid Traditional Name: 7-[(1R,2S,3R)-3-hydroxy-2-[(3S,5R)-3-hydroxy-5-methyl-non-1-ynyl]-5-keto-cyclopentyl]hept-2-ynoic acid Formula: C22H32O5 MolecularWeight: 376.48648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C#CC1C(CC(=O)C1CCCCC#CC(=O)O)O)O

Isomeric SMILES

CCCC[C@@H](C)C[C@@H](C#C[C@H]1[C@@H](CC(=O)[C@@H]1CCCCC#CC(=O)O)O)O

InChI

InChI=1S/C22H32O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/t16-,17-,18-,19-,21-/m1/s1