3-[(2-methylphenyl)methylsulfonyl]propanoate

Systemtic Name: 3-[(2-methylphenyl)methylsulfonyl]propanoate Openeye Name: 3-(o-tolylmethylsulfonyl)propanoate CAS Name: 3-[(2-methylphenyl)methylsulfonyl]propanoate IUPAC Name: 3-[(2-methylphenyl)methylsulfonyl]propanoate Traditional Name: 3-(2-methylbenzyl)sulfonylpropionate Formula: C11H13O4S- MolecularWeight: 241.28352

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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)/p-1