ethanenitrile; rhodium; triphenylphosphane

Systemtic Name: ethanenitrile; rhodium; triphenylphosphane Openeye Name: acetonitrile; rhodium; triphenylphosphane CAS Name: acetonitrile; rhodium; triphenylphosphine IUPAC Name: acetonitrile; rhodium; triphenylphosphane Traditional Name: acetonitrile; rhodium; triphenylphosphine Formula: C56H48NP3Rh MolecularWeight: 930.813803

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.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.[Rh]

Isomeric SMILES

CC#N.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.[Rh]

InChI

InChI=1S/3C18H15P.C2H3N.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3;/h3*1-15H;1H3;