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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1CC2=COC=C2)C(=O)O

Isomeric SMILES

CC1(CCCC(=O)C1CC2=COC=C2)C(=O)O

InChI

InChI=1S/C13H16O4/c1-13(12(15)16)5-2-3-11(14)10(13)7-9-4-6-17-8-9/h4,6,8,10H,2-3,5,7H2,1H3,(H,15,16)