ethanenitrile; triphenylphosphanium; tris(chloranyl)rhenium

Systemtic Name: ethanenitrile; triphenylphosphanium; tris(chloranyl)rhenium Openeye Name: acetonitrile; trichlororhenium; triphenylphosphonium CAS Name: acetonitrile; trichlororhenium; triphenylphosphonium IUPAC Name: acetonitrile; trichlororhenium; triphenylphosphanium Traditional Name: acetonitrile; trichlororhenium; triphenylphosphonium Formula: C38H35Cl3NP2Re+2 MolecularWeight: 860.204722

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Re](Cl)Cl

Isomeric SMILES

CC#N.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](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-1