2-[(1S,2S,3R,5S)-3-acetyloxy-2-ethenyl-5-oxidanyl-cyclopentyl]propanedioic acid

Systemtic Name: 2-[(1S,2S,3R,5S)-3-acetyloxy-2-ethenyl-5-oxidanyl-cyclopentyl]propanedioic acid Openeye Name: 2-[(1S,2S,3R,5S)-3-acetoxy-5-hydroxy-2-vinyl-cyclopentyl]propanedioic acid CAS Name: 2-[(1S,2S,3R,5S)-3-acetyloxy-2-ethenyl-5-hydroxycyclopentyl]propanedioic acid IUPAC Name: 2-[(1S,2S,3R,5S)-3-acetyloxy-2-ethenyl-5-hydroxycyclopentyl]propanedioic acid Traditional Name: 2-[(1S,2S,3R,5S)-3-acetoxy-5-hydroxy-2-vinyl-cyclopentyl]malonic acid Formula: C12H16O7 MolecularWeight: 272.25124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(C1C=C)C(C(=O)O)C(=O)O)O

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]([C@@H]([C@@H]1C=C)C(C(=O)O)C(=O)O)O

InChI

InChI=1S/C12H16O7/c1-3-6-8(19-5(2)13)4-7(14)9(6)10(11(15)16)12(17)18/h3,6-10,14H,1,4H2,2H3,(H,15,16)(H,17,18)/t6-,7+,8-,9-/m1/s1