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

Systemtic Name: 4-ethyl-3-(2-ethylsulfonylethylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-(2-ethylsulfonylethylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-(2-ethylsulfonylethylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(2-ethylsulfonylethylsulfonyl)benzoic acid Traditional Name: 3-(2-esylethylsulfonyl)-4-ethyl-benzoic acid Formula: C13H18O6S2 MolecularWeight: 334.40842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCS(=O)(=O)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCS(=O)(=O)CC

InChI

InChI=1S/C13H18O6S2/c1-3-10-5-6-11(13(14)15)9-12(10)21(18,19)8-7-20(16,17)4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)