3-[3,5-bis(methylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(methylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[3,5-bis(methylsulfonyl)phenyl]propanoic acid CAS Name: 3-[3,5-bis(methylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[3,5-bis(methylsulfonyl)phenyl]propanoic acid Traditional Name: 3-(3,5-dimesylphenyl)propionic acid Formula: C11H14O6S2 MolecularWeight: 306.35526

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)CCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H14O6S2/c1-18(14,15)9-5-8(3-4-11(12)13)6-10(7-9)19(2,16)17/h5-7H,3-4H2,1-2H3,(H,12,13)