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

Systemtic Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[(3,4-dimethylphenyl)sulfonylmethyl]-2-methyl-3-furoic acid Formula: C15H16O5S MolecularWeight: 308.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O5S/c1-9-4-5-13(6-10(9)2)21(18,19)8-12-7-14(15(16)17)11(3)20-12/h4-7H,8H2,1-3H3,(H,16,17)