methyl (1R,6R)-6-[(1R)-1-oxidanylethyl]-2-oxidanylidene-1-prop-2-ynyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,6R)-6-[(1R)-1-oxidanylethyl]-2-oxidanylidene-1-prop-2-ynyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,6R)-6-[(1R)-1-hydroxyethyl]-2-oxo-1-prop-2-ynyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[(1R)-1-hydroxyethyl]-2-oxo-1-prop-2-ynyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,6R)-6-[(1R)-1-hydroxyethyl]-2-oxo-1-prop-2-ynylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[(1R)-1-hydroxyethyl]-2-keto-1-propargyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC=CC(=O)C1(CC#C)C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-4-8-13(12(16)17-3)10(9(2)14)6-5-7-11(13)15/h1,5,7,9-10,14H,6,8H2,2-3H3/t9-,10+,13-/m1/s1