3-methylsulfonyl-4-(1-oxidanylpropan-2-yl)benzoic acid

Systemtic Name: 3-methylsulfonyl-4-(1-oxidanylpropan-2-yl)benzoic acid Openeye Name: 4-(2-hydroxy-1-methyl-ethyl)-3-methylsulfonyl-benzoic acid CAS Name: 4-(1-hydroxypropan-2-yl)-3-methylsulfonylbenzoic acid IUPAC Name: 4-(1-hydroxypropan-2-yl)-3-methylsulfonylbenzoic acid Traditional Name: 4-(2-hydroxy-1-methyl-ethyl)-3-mesyl-benzoic acid Formula: C11H14O5S MolecularWeight: 258.29086

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(CO)C1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H14O5S/c1-7(6-12)9-4-3-8(11(13)14)5-10(9)17(2,15)16/h3-5,7,12H,6H2,1-2H3,(H,13,14)