5-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[(3,4-dimethylphenyl)thio]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[(3,4-dimethylphenyl)thio]methyl]-2-methyl-3-furoic acid Formula: C15H16O3S MolecularWeight: 276.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=CC(=C(O2)C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=CC(=C(O2)C)C(=O)O)C

InChI

InChI=1S/C15H16O3S/c1-9-4-5-13(6-10(9)2)19-8-12-7-14(15(16)17)11(3)18-12/h4-7H,8H2,1-3H3,(H,16,17)