cyclopentane; isocyanomethylbenzene; ruthenium(2+); triphenylphosphane; bromide

Systemtic Name: cyclopentane; isocyanomethylbenzene; ruthenium(2+); triphenylphosphane; bromide Openeye Name: cyclopentane; isocyanomethylbenzene; ruthenium(2+); triphenylphosphane; bromide CAS Name: cyclopentane; isocyanomethylbenzene; ruthenium(2+); triphenylphosphine; bromide IUPAC Name: cyclopentane; isocyanomethylbenzene; ruthenium(2+); triphenylphosphane; bromide Traditional Name: cyclopentane; isocyanomethylbenzene; ruthenium(2+); triphenylphosphine; bromide Formula: C49H42BrNP2Ru+ MolecularWeight: 887.786002

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CC1=CC=CC=C1.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.[CH]1[CH][CH][CH][CH]1.[Br-].[Ru+2]

Isomeric SMILES

[C-]#[N+]CC1=CC=CC=C1.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.[CH]1[CH][CH][CH][CH]1.[Br-].[Ru+2]

InChI

InChI=1S/2C18H15P.C8H7N.C5H5.BrH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-7-8-5-3-2-4-6-8;1-2-4-5-3-1;;/h2*1-15H;2-6H,7H2;1-5H;1H;/q;;;;;+2/p-1