(1R,3R)-1-(7-ethoxy-7-oxidanylidene-heptan-3-yl)-5-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-2-oxidanylidene-cyclopentane-1,3-dicarboxylic acid

Systemtic Name: (1R,3R)-1-(7-ethoxy-7-oxidanylidene-heptan-3-yl)-5-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-2-oxidanylidene-cyclopentane-1,3-dicarboxylic acid Openeye Name: (1R,3R)-1-(5-ethoxy-1-ethyl-5-oxo-pentyl)-5-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-2-oxo-cyclopentane-1,3-dicarboxylic acid CAS Name: (1R,3R)-1-(7-ethoxy-7-oxoheptan-3-yl)-5-[(E)-3-hydroxy-3-methyloct-1-enyl]-2-oxocyclopentane-1,3-dicarboxylic acid IUPAC Name: (1R,3R)-1-(7-ethoxy-7-oxoheptan-3-yl)-5-[(E)-3-hydroxy-3-methyloct-1-enyl]-2-oxocyclopentane-1,3-dicarboxylic acid Traditional Name: (1R,3R)-1-(5-ethoxy-1-ethyl-5-keto-pentyl)-5-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-2-keto-cyclopentane-1,3-dicarboxylic acid Formula: C25H40O8 MolecularWeight: 468.5803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C=CC1CC(C(=O)C1(C(CC)CCCC(=O)OCC)C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCC(C)(/C=C/C1C[C@H](C(=O)[C@]1(C(CC)CCCC(=O)OCC)C(=O)O)C(=O)O)O

InChI

InChI=1S/C25H40O8/c1-5-8-9-14-24(4,32)15-13-18-16-19(22(28)29)21(27)25(18,23(30)31)17(6-2)11-10-12-20(26)33-7-3/h13,15,17-19,32H,5-12,14,16H2,1-4H3,(H,28,29)(H,30,31)/b15-13+/t17?,18?,19-,24?,25-/m1/s1