7-[1-chloranyl-2,6-bis(oxidanylidene)cyclohexyl]hept-5-ynoic acid

Systemtic Name: 7-[1-chloranyl-2,6-bis(oxidanylidene)cyclohexyl]hept-5-ynoic acid Openeye Name: 7-(1-chloro-2,6-dioxo-cyclohexyl)hept-5-ynoic acid CAS Name: 7-(1-chloro-2,6-dioxocyclohexyl)-5-heptynoic acid IUPAC Name: 7-(1-chloro-2,6-dioxocyclohexyl)hept-5-ynoic acid Traditional Name: 7-(1-chloro-2,6-diketo-cyclohexyl)hept-5-ynoic acid Formula: C13H15ClO4 MolecularWeight: 270.7088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)(CC#CCCCC(=O)O)Cl

Isomeric SMILES

C1CC(=O)C(C(=O)C1)(CC#CCCCC(=O)O)Cl

InChI

InChI=1S/C13H15ClO4/c14-13(10(15)6-5-7-11(13)16)9-4-2-1-3-8-12(17)18/h1,3,5-9H2,(H,17,18)