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

Systemtic Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]furan-2-carboxylic acid CAS Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]-2-furancarboxylic acid IUPAC Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]furan-2-carboxylic acid Traditional Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]-2-furoic acid Formula: C14H14O5S MolecularWeight: 294.32296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)O)C

InChI

InChI=1S/C14H14O5S/c1-9-3-5-12(7-10(9)2)20(17,18)8-11-4-6-13(19-11)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)