methyl 5-ethynyl-3,5-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: methyl 5-ethynyl-3,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: methyl 5-ethynyl-3,5-dihydroxy-cyclohexene-1-carboxylate CAS Name: 5-ethynyl-3,5-dihydroxy-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethynyl-3,5-dihydroxycyclohexene-1-carboxylate Traditional Name: 5-ethynyl-3,5-dihydroxy-cyclohexene-1-carboxylic acid methyl ester Formula: C10H12O4 MolecularWeight: 196.19988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(CC(C1)(C#C)O)O

Isomeric SMILES

COC(=O)C1=CC(CC(C1)(C#C)O)O

InChI

InChI=1S/C10H12O4/c1-3-10(13)5-7(9(12)14-2)4-8(11)6-10/h1,4,8,11,13H,5-6H2,2H3