3-[(2-methylphenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(2-methylphenyl)methylsulfonyl]propanoic acid Openeye Name: 3-(o-tolylmethylsulfonyl)propanoic acid CAS Name: 3-[(2-methylphenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(2-methylphenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(2-methylbenzyl)sulfonylpropionic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C11H14O4S/c1-9-4-2-3-5-10(9)8-16(14,15)7-6-11(12)13/h2-5H,6-8H2,1H3,(H,12,13)