3-chloranyl-4-[[4-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 3-chloranyl-4-[[4-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3-chloro-4-[[4-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3-chloro-4-[[4-(trifluoromethylsulfonyl)phenyl]methylthio]benzoic acid IUPAC Name: 3-chloro-4-[[4-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3-chloro-4-[(4-triflylbenzyl)thio]benzoic acid Formula: C15H10ClF3O4S2 MolecularWeight: 410.81571

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C=C2)C(=O)O)Cl)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C=C2)C(=O)O)Cl)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H10ClF3O4S2/c16-12-7-10(14(20)21)3-6-13(12)24-8-9-1-4-11(5-2-9)25(22,23)15(17,18)19/h1-7H,8H2,(H,20,21)