chloranylruthenium(1+); ethanenitrile; tetraphenylboranuide; triphenylphosphane

Systemtic Name: chloranylruthenium(1+); ethanenitrile; tetraphenylboranuide; triphenylphosphane Openeye Name: acetonitrile; chlororuthenium(1+); tetraphenylboranuide; triphenylphosphane CAS Name: acetonitrile; chlororuthenium(1+); tetraphenylboranuide; triphenylphosphine IUPAC Name: acetonitrile; chlororuthenium(1+); tetraphenylboranuide; triphenylphosphane Traditional Name: acetonitrile; chlororuthenium(1+); tetraphenylboranuide; triphenylphosphine Formula: C66H59BClN3P2Ru MolecularWeight: 1103.476282

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC#N.CC#N.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[Ru+]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC#N.CC#N.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[Ru+]

InChI

InChI=1S/C24H20B.2C18H15P.3C2H3N.ClH.Ru/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2-3;;/h1-20H;2*1-15H;3*1H3;1H;/q-1;;;;;;;+2/p-1