[(1R,5R)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] 2-chloranylethanoate

Systemtic Name: [(1R,5R)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] 2-chloranylethanoate Openeye Name: [(1R,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(1R,5R)-3-ethynyl-5-hydroxy-4-methyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5R)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(1R,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] ester Formula: C11H13ClO3 MolecularWeight: 228.67212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1O)OC(=O)CCl)C#C

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClO3/c1-3-8-4-9(15-11(14)6-12)5-10(13)7(8)2/h1,9-10,13H,4-6H2,2H3/t9-,10-/m1/s1