ethanenitrile; triphenylphosphane; tris(chloranyl)rhenium

Systemtic Name: ethanenitrile; triphenylphosphane; tris(chloranyl)rhenium Openeye Name: acetonitrile; trichlororhenium; triphenylphosphane CAS Name: acetonitrile; trichlororhenium; triphenylphosphine IUPAC Name: acetonitrile; trichlororhenium; triphenylphosphane Traditional Name: acetonitrile; trichlororhenium; triphenylphosphine Formula: C38H33Cl3NP2Re MolecularWeight: 858.188842

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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.Cl[Re](Cl)Cl

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.Cl[Re](Cl)Cl

InChI

InChI=1S/2C18H15P.C2H3N.3ClH.Re/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3;;;;/h2*1-15H;1H3;3*1H;/q;;;;;;+3/p-3