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

Systemtic Name: 4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-benzoate Openeye Name: 4-[5-(hydroxymethyl)-2-furyl]-3-methyl-benzoate CAS Name: 4-[5-(hydroxymethyl)-2-furanyl]-3-methylbenzoate IUPAC Name: 4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoate Traditional Name: 3-methyl-4-(5-methylol-2-furyl)benzoate Formula: C13H11O4- MolecularWeight: 231.22404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])C2=CC=C(O2)CO

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])C2=CC=C(O2)CO

InChI

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