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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2=C(C=CO2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2=C(C=CO2)C(=O)O)C

InChI

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