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

Systemtic Name: 7-[2,6-bis(oxidanylidene)cyclohexyl]hept-5-ynoic acid Openeye Name: 7-(2,6-dioxocyclohexyl)hept-5-ynoic acid CAS Name: 7-(2,6-dioxocyclohexyl)-5-heptynoic acid IUPAC Name: 7-(2,6-dioxocyclohexyl)hept-5-ynoic acid Traditional Name: 7-(2,6-diketocyclohexyl)hept-5-ynoic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c14-11-7-5-8-12(15)10(11)6-3-1-2-4-9-13(16)17/h10H,2,4-9H2,(H,16,17)