4-butan-2-yl-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-butan-2-yl-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-sec-butyl-benzoic acid CAS Name: 4-butan-2-yl-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-butan-2-yl-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-sec-butyl-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC(C)C1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H18O4S/c1-5-8(2)10-6-9(3)11(13(14)15)7-12(10)18(4,16)17/h6-8H,5H2,1-4H3,(H,14,15)