6-[1-chloranyl-2,6-bis(oxidanylidene)cyclohexyl]hex-4-ynoic acid

Systemtic Name: 6-[1-chloranyl-2,6-bis(oxidanylidene)cyclohexyl]hex-4-ynoic acid Openeye Name: 6-(1-chloro-2,6-dioxo-cyclohexyl)hex-4-ynoic acid CAS Name: 6-(1-chloro-2,6-dioxocyclohexyl)-4-hexynoic acid IUPAC Name: 6-(1-chloro-2,6-dioxocyclohexyl)hex-4-ynoic acid Traditional Name: 6-(1-chloro-2,6-diketo-cyclohexyl)hex-4-ynoic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO4/c13-12(8-3-1-2-7-11(16)17)9(14)5-4-6-10(12)15/h2,4-8H2,(H,16,17)