[(1R,5R)-5-acetyloxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] 2-chloranylethanoate

Systemtic Name: [(1R,5R)-5-acetyloxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] 2-chloranylethanoate Openeye Name: [(1R,5R)-5-acetoxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(1R,5R)-5-acetyloxy-3-ethynyl-2-methyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5R)-5-acetyloxy-3-ethynyl-2-methylcyclohex-2-en-1-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(1R,5R)-5-acetoxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] ester Formula: C13H15ClO4 MolecularWeight: 270.7088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1OC(=O)CCl)OC(=O)C)C#C

Isomeric SMILES

CC1=C(C[C@H](C[C@H]1OC(=O)CCl)OC(=O)C)C#C

InChI

InChI=1S/C13H15ClO4/c1-4-10-5-11(17-9(3)15)6-12(8(10)2)18-13(16)7-14/h1,11-12H,5-7H2,2-3H3/t11-,12-/m1/s1