2-(2-but-3-ynyl-2-methoxycarbonyl-3-oxidanylidene-cyclopentyl)ethanoic acid

Systemtic Name: 2-(2-but-3-ynyl-2-methoxycarbonyl-3-oxidanylidene-cyclopentyl)ethanoic acid Openeye Name: 2-(2-but-3-ynyl-2-methoxycarbonyl-3-oxo-cyclopentyl)acetic acid CAS Name: 2-(2-but-3-ynyl-2-methoxycarbonyl-3-oxocyclopentyl)acetic acid IUPAC Name: 2-(2-but-3-ynyl-2-methoxycarbonyl-3-oxocyclopentyl)acetic acid Traditional Name: 2-(2-but-3-ynyl-2-carbomethoxy-3-keto-cyclopentyl)acetic acid Formula: C13H16O5 MolecularWeight: 252.26314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CCC1=O)CC(=O)O)CCC#C

Isomeric SMILES

COC(=O)C1(C(CCC1=O)CC(=O)O)CCC#C

InChI

InChI=1S/C13H16O5/c1-3-4-7-13(12(17)18-2)9(8-11(15)16)5-6-10(13)14/h1,9H,4-8H2,2H3,(H,15,16)