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

Systemtic Name: 4-ethyl-3-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-isobutylsulfonyl-benzoic acid CAS Name: 4-ethyl-3-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-isobutylsulfonyl-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-4-10-5-6-11(13(14)15)7-12(10)18(16,17)8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,14,15)