ethyl 2-[phenyl(trifluoromethylsulfonyl)amino]ethanoate; palladium(2+); triphenylphosphane

Systemtic Name: ethyl 2-[phenyl(trifluoromethylsulfonyl)amino]ethanoate; palladium(2+); triphenylphosphane Openeye Name: ethyl 2-[N-(trifluoromethylsulfonyl)anilino]acetate; palladium(2+); triphenylphosphane CAS Name: palladium(2+); 2-[N-(trifluoromethylsulfonyl)anilino]acetic acid ethyl ester; triphenylphosphine IUPAC Name: ethyl 2-[N-(trifluoromethylsulfonyl)anilino]acetate; palladium(2+); triphenylphosphane Traditional Name: palladium(2+); 2-(N-triflylanilino)acetic acid ethyl ester; triphenylphosphine Formula: C47H40F3NO4P2PdS MolecularWeight: 940.252532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[CH-]N(C1=CC=CC=[C-]1)S(=O)(=O)C(F)(F)F.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

Isomeric SMILES

CCOC(=O)[CH-]N(C1=CC=CC=[C-]1)S(=O)(=O)C(F)(F)F.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

InChI

InChI=1S/2C18H15P.C11H10F3NO4S.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-19-10(16)8-15(9-6-4-3-5-7-9)20(17,18)11(12,13)14;/h2*1-15H;3-6,8H,2H2,1H3;/q;;-2;+2