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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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