4-[3,5-bis(trifluoromethyl)phenyl]carbonylsulfanylbenzoic acid

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]carbonylsulfanylbenzoic acid Openeye Name: 4-[3,5-bis(trifluoromethyl)benzoyl]sulfanylbenzoic acid CAS Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]thio]benzoic acid IUPAC Name: 4-[3,5-bis(trifluoromethyl)benzoyl]sulfanylbenzoic acid Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzoyl]thio]benzoic acid Formula: C16H8F6O3S MolecularWeight: 394.288339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H8F6O3S/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)14(25)26-12-3-1-8(2-4-12)13(23)24/h1-7H,(H,23,24)