(1S,6R)-4-methyl-6-(2-methylbut-3-yn-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-4-methyl-6-(2-methylbut-3-yn-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-(1,1-dimethylprop-2-ynoxycarbonyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-4-methyl-6-[2-methylbut-3-yn-2-yloxy(oxo)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-4-methyl-6-(2-methylbut-3-yn-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(1,1-dimethylprop-2-ynoxycarbonyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)OC(C)(C)C#C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-5-14(3,4)18-13(17)11-8-9(2)6-7-10(11)12(15)16/h1,6,10-11H,7-8H2,2-4H3,(H,15,16)/t10-,11+/m0/s1