2-(phenylmethylsulfanyl)-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 2-benzylsulfanyl-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 2-(phenylmethylthio)-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 2-benzylsulfanyl-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 2-(benzylthio)-5-triflyl-benzoic acid Formula: C15H11F3O4S2 MolecularWeight: 376.37065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H11F3O4S2/c16-15(17,18)24(21,22)11-6-7-13(12(8-11)14(19)20)23-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)