azanylazaniumylidynetungsten; 2-diphenylphosphanylethyl(diphenyl)phosphane; tris(fluoranyl)methanesulfonate; tris(fluoranyl)methanesulfonic acid

Systemtic Name: azanylazaniumylidynetungsten; 2-diphenylphosphanylethyl(diphenyl)phosphane; tris(fluoranyl)methanesulfonate; tris(fluoranyl)methanesulfonic acid Openeye Name: aminonitriliotungsten; 2-diphenylphosphanylethyl(diphenyl)phosphane; trifluoromethanesulfonate; trifluoromethanesulfonic acid CAS Name: aminonitriliotungsten; 2-diphenylphosphinoethyl(diphenyl)phosphine; trifluoromethanesulfonate; trifluoromethanesulfonic acid IUPAC Name: aminoazaniumylidynetungsten; 2-diphenylphosphanylethyl(diphenyl)phosphane; trifluoromethanesulfonate; trifluoromethanesulfonic acid Traditional Name: aminonitriliotungsten; 2-diphenylphosphinoethyl(diphenyl)phosphine; triflic acid; triflate Formula: C54H51F6N2O6P4S2W MolecularWeight: 1309.848003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)[O-].N[N+]#[W]

Isomeric SMILES

C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)[O-].N[N+]#[W]

InChI

InChI=1S/2C26H24P2.2CHF3O3S.H2N2.W/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*2-1(3,4)8(5,6)7;1-2;/h2*1-20H,21-22H2;2*(H,5,6,7);1H2;/q;;;;+1;/p-1