2-methyl-4,5-bis(methylsulfonyl)benzoic acid

Systemtic Name: 2-methyl-4,5-bis(methylsulfonyl)benzoic acid Openeye Name: 2-methyl-4,5-bis(methylsulfonyl)benzoic acid CAS Name: 2-methyl-4,5-bis(methylsulfonyl)benzoic acid IUPAC Name: 2-methyl-4,5-bis(methylsulfonyl)benzoic acid Traditional Name: 4,5-dimesyl-2-methyl-benzoic acid Formula: C10H12O6S2 MolecularWeight: 292.32868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C10H12O6S2/c1-6-4-8(17(2,13)14)9(18(3,15)16)5-7(6)10(11)12/h4-5H,1-3H3,(H,11,12)