3-(2-ethylsulfonylethylsulfonyl)-4-methyl-benzoic acid

Systemtic Name: 3-(2-ethylsulfonylethylsulfonyl)-4-methyl-benzoic acid Openeye Name: 3-(2-ethylsulfonylethylsulfonyl)-4-methyl-benzoic acid CAS Name: 3-(2-ethylsulfonylethylsulfonyl)-4-methylbenzoic acid IUPAC Name: 3-(2-ethylsulfonylethylsulfonyl)-4-methylbenzoic acid Traditional Name: 3-(2-esylethylsulfonyl)-4-methyl-benzoic acid Formula: C12H16O6S2 MolecularWeight: 320.38184

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCS(=O)(=O)CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C12H16O6S2/c1-3-19(15,16)6-7-20(17,18)11-8-10(12(13)14)5-4-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)