(1R,3R)-3-ethynyl-5-methoxycarbonyl-cyclohept-4-ene-1-carboxylic acid

Systemtic Name: (1R,3R)-3-ethynyl-5-methoxycarbonyl-cyclohept-4-ene-1-carboxylic acid Openeye Name: (1R,3R)-3-ethynyl-5-methoxycarbonyl-cyclohept-4-ene-1-carboxylic acid CAS Name: (1R,3R)-3-ethynyl-5-methoxycarbonyl-1-cyclohept-4-enecarboxylic acid IUPAC Name: (1R,3R)-3-ethynyl-5-methoxycarbonylcyclohept-4-ene-1-carboxylic acid Traditional Name: (1R,3R)-5-carbomethoxy-3-ethynyl-cyclohept-4-ene-1-carboxylic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(CC(CC1)C(=O)O)C#C

Isomeric SMILES

COC(=O)C1=C[C@@H](C[C@@H](CC1)C(=O)O)C#C

InChI

InChI=1S/C12H14O4/c1-3-8-6-9(11(13)14)4-5-10(7-8)12(15)16-2/h1,7-9H,4-6H2,2H3,(H,13,14)/t8-,9-/m1/s1