2-methyl-5-[(phenylmethyl)sulfonylmethyl]furan-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H14O5S/c1-10-13(14(15)16)7-12(19-10)9-20(17,18)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,16)