2-(2-methylpropylsulfanyl)-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-(2-methylpropylsulfanyl)-5-methylsulfonyl-benzoic acid Openeye Name: 2-isobutylsulfanyl-5-methylsulfonyl-benzoic acid CAS Name: 2-(2-methylpropylthio)-5-methylsulfonylbenzoic acid IUPAC Name: 2-(2-methylpropylsulfanyl)-5-methylsulfonylbenzoic acid Traditional Name: 2-(isobutylthio)-5-mesyl-benzoic acid Formula: C12H16O4S2 MolecularWeight: 288.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H16O4S2/c1-8(2)7-17-11-5-4-9(18(3,15)16)6-10(11)12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)