2-chloranylbenzenecarbonitrile; triphenylphosphane; tungsten(2+)

Systemtic Name: 2-chloranylbenzenecarbonitrile; triphenylphosphane; tungsten(2+) Openeye Name: 2-chlorobenzonitrile; triphenylphosphane; tungsten(2+) CAS Name: 2-chlorobenzonitrile; triphenylphosphine; tungsten(2+) IUPAC Name: 2-chlorobenzonitrile; triphenylphosphane; tungsten(2+) Traditional Name: 2-chlorobenzonitrile; triphenylphosphine; tungsten(2+) Formula: C61H49ClNP3W+2 MolecularWeight: 1108.262743

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Descriptors Computed from Structure

Canonical SMILES:

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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C(=C1)C#N)Cl.[W+2]

Isomeric SMILES

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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C(=C1)C#N)Cl.[W+2]

InChI

InChI=1S/3C18H15P.C7H4ClN.W/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-7-4-2-1-3-6(7)5-9;/h3*1-15H;1-4H;/q;;;;+2