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

Systemtic Name: 2-methyl-5-methylsulfonyl-4-phenylsulfanyl-benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-phenylsulfanyl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(phenylthio)benzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-phenylsulfanylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-(phenylthio)benzoic acid Formula: C15H14O4S2 MolecularWeight: 322.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C15H14O4S2/c1-10-8-13(20-11-6-4-3-5-7-11)14(21(2,18)19)9-12(10)15(16)17/h3-9H,1-2H3,(H,16,17)