2-methyl-5-methylsulfonyl-4-propan-2-ylsulfanyl-benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-propan-2-ylsulfanyl-benzoic acid Openeye Name: 4-isopropylsulfanyl-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(propan-2-ylthio)benzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-propan-2-ylsulfanylbenzoic acid Traditional Name: 4-(isopropylthio)-5-mesyl-2-methyl-benzoic acid Formula: C12H16O4S2 MolecularWeight: 288.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC(C)C

InChI

InChI=1S/C12H16O4S2/c1-7(2)17-10-5-8(3)9(12(13)14)6-11(10)18(4,15)16/h5-7H,1-4H3,(H,13,14)