8-[1-chloranyl-2,6-bis(oxidanylidene)cyclohexyl]oct-6-ynoic acid

Systemtic Name: 8-[1-chloranyl-2,6-bis(oxidanylidene)cyclohexyl]oct-6-ynoic acid Openeye Name: 8-(1-chloro-2,6-dioxo-cyclohexyl)oct-6-ynoic acid CAS Name: 8-(1-chloro-2,6-dioxocyclohexyl)-6-octynoic acid IUPAC Name: 8-(1-chloro-2,6-dioxocyclohexyl)oct-6-ynoic acid Traditional Name: 8-(1-chloro-2,6-diketo-cyclohexyl)oct-6-ynoic acid Formula: C14H17ClO4 MolecularWeight: 284.73538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClO4/c15-14(11(16)7-6-8-12(14)17)10-5-3-1-2-4-9-13(18)19/h1-2,4,6-10H2,(H,18,19)