8-chloranyl-2-(2,2-dimethoxyethanoyl)oct-4-ynoic acid

Systemtic Name: 8-chloranyl-2-(2,2-dimethoxyethanoyl)oct-4-ynoic acid Openeye Name: 8-chloro-2-(2,2-dimethoxyacetyl)oct-4-ynoic acid CAS Name: 8-chloro-2-(2,2-dimethoxy-1-oxoethyl)-4-octynoic acid IUPAC Name: 8-chloro-2-(2,2-dimethoxyacetyl)oct-4-ynoic acid Traditional Name: 8-chloro-2-(2,2-dimethoxyacetyl)oct-4-ynoic acid Formula: C12H17ClO5 MolecularWeight: 276.71338

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)C(CC#CCCCCl)C(=O)O)OC

Isomeric SMILES

COC(C(=O)C(CC#CCCCCl)C(=O)O)OC

InChI

InChI=1S/C12H17ClO5/c1-17-12(18-2)10(14)9(11(15)16)7-5-3-4-6-8-13/h9,12H,4,6-8H2,1-2H3,(H,15,16)