3-(2-methylbut-3-yn-2-yloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Systemtic Name: 3-(2-methylbut-3-yn-2-yloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Openeye Name: 3-(1,1-dimethylprop-2-ynoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid CAS Name: 3-[2-methylbut-3-yn-2-yloxy(oxo)methyl]-2-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 3-(2-methylbut-3-yn-2-yloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Traditional Name: 3-(1,1-dimethylprop-2-ynoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)OC(=O)C1C2CC(C1C(=O)O)C=C2

Isomeric SMILES

CC(C)(C#C)OC(=O)C1C2CC(C1C(=O)O)C=C2

InChI

InChI=1S/C14H16O4/c1-4-14(2,3)18-13(17)11-9-6-5-8(7-9)10(11)12(15)16/h1,5-6,8-11H,7H2,2-3H3,(H,15,16)