3-[5-(hydroxymethyl)furan-2-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[5-(hydroxymethyl)furan-2-yl]-4-methyl-benzoic acid Openeye Name: 3-[5-(hydroxymethyl)-2-furyl]-4-methyl-benzoic acid CAS Name: 3-[5-(hydroxymethyl)-2-furanyl]-4-methylbenzoic acid IUPAC Name: 3-[5-(hydroxymethyl)furan-2-yl]-4-methylbenzoic acid Traditional Name: 4-methyl-3-(5-methylol-2-furyl)benzoic acid Formula: C13H12O4 MolecularWeight: 232.23198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)CO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)CO

InChI

InChI=1S/C13H12O4/c1-8-2-3-9(13(15)16)6-11(8)12-5-4-10(7-14)17-12/h2-6,14H,7H2,1H3,(H,15,16)