3-methyl-5-(phenylmethyl)furan-2-carboxylic acid

Systemtic Name: 3-methyl-5-(phenylmethyl)furan-2-carboxylic acid Openeye Name: 5-benzyl-3-methyl-furan-2-carboxylic acid CAS Name: 3-methyl-5-(phenylmethyl)-2-furancarboxylic acid IUPAC Name: 5-benzyl-3-methylfuran-2-carboxylic acid Traditional Name: 5-benzyl-3-methyl-2-furoic acid Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(OC(=C1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H12O3/c1-9-7-11(16-12(9)13(14)15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)