2-methyl-5-methylsulfonyl-4-propylsulfanyl-benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-propylsulfanyl-benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-propylsulfanyl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(propylthio)benzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-propylsulfanylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-(propylthio)benzoic acid Formula: C12H16O4S2 MolecularWeight: 288.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCSC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H16O4S2/c1-4-5-17-10-6-8(2)9(12(13)14)7-11(10)18(3,15)16/h6-7H,4-5H2,1-3H3,(H,13,14)