2-[4-(trifluoromethylsulfonyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(trifluoromethylsulfonyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-(trifluoromethylsulfonyl)phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-(trifluoromethylsulfonyl)phenyl]thio]benzoic acid IUPAC Name: 2-[4-(trifluoromethylsulfonyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[(4-triflylphenyl)thio]benzoic acid Formula: C14H9F3O4S2 MolecularWeight: 362.34407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H9F3O4S2/c15-14(16,17)23(20,21)10-7-5-9(6-8-10)22-12-4-2-1-3-11(12)13(18)19/h1-8H,(H,18,19)