2-(furan-2-ylmethyl)-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 2-(furan-2-ylmethyl)-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 2-(2-furylmethyl)-1-methyl-3-oxo-cyclohexanecarboxylic acid CAS Name: 2-(2-furanylmethyl)-1-methyl-3-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 2-(furan-2-ylmethyl)-1-methyl-3-oxocyclohexane-1-carboxylic acid Traditional Name: 2-(2-furfuryl)-3-keto-1-methyl-cyclohexanecarboxylic acid Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1CC2=CC=CO2)C(=O)O

Isomeric SMILES

CC1(CCCC(=O)C1CC2=CC=CO2)C(=O)O

InChI

InChI=1S/C13H16O4/c1-13(12(15)16)6-2-5-11(14)10(13)8-9-4-3-7-17-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,15,16)