5-[[(2S)-4-methylpentan-2-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(2S)-4-methylpentan-2-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[(1S)-1,3-dimethylbutoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[(2S)-4-methylpentan-2-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[(2S)-4-methylpentan-2-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[(1S)-1,3-dimethylbutoxy]methyl]-2-furoic acid Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OCC1=CC=C(O1)C(=O)O

Isomeric SMILES

C[C@@H](CC(C)C)OCC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C12H18O4/c1-8(2)6-9(3)15-7-10-4-5-11(16-10)12(13)14/h4-5,8-9H,6-7H2,1-3H3,(H,13,14)/t9-/m0/s1