S-(2-diphenylphosphanylphenyl) 4-(trifluoromethyl)benzenecarbothioate

Systemtic Name: S-(2-diphenylphosphanylphenyl) 4-(trifluoromethyl)benzenecarbothioate Openeye Name: S-(2-diphenylphosphanylphenyl) 4-(trifluoromethyl)benzenecarbothioate CAS Name: 4-(trifluoromethyl)benzenecarbothioic acid S-(2-diphenylphosphinophenyl) ester IUPAC Name: S-(2-diphenylphosphanylphenyl) 4-(trifluoromethyl)benzenecarbothioate Traditional Name: 4-(trifluoromethyl)thiobenzoic acid S-(2-diphenylphosphinophenyl) ester Formula: C26H18F3OPS MolecularWeight: 466.454491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3SC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3SC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H18F3OPS/c27-26(28,29)20-17-15-19(16-18-20)25(30)32-24-14-8-7-13-23(24)31(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H