2-[3,4-bis(methylsulfonyl)phenyl]ethanoic acid

Systemtic Name: 2-[3,4-bis(methylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-[3,4-bis(methylsulfonyl)phenyl]acetic acid CAS Name: 2-[3,4-bis(methylsulfonyl)phenyl]acetic acid IUPAC Name: 2-[3,4-bis(methylsulfonyl)phenyl]acetic acid Traditional Name: 2-(3,4-dimesylphenyl)acetic acid Formula: C10H12O6S2 MolecularWeight: 292.32868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O6S2/c1-17(13,14)8-4-3-7(6-10(11)12)5-9(8)18(2,15)16/h3-5H,6H2,1-2H3,(H,11,12)