chloranylruthenium; 2,2-di(pyrazol-1-yl)ethanoic acid; triphenylphosphanium

Systemtic Name: chloranylruthenium; 2,2-di(pyrazol-1-yl)ethanoic acid; triphenylphosphanium Openeye Name: chlororuthenium; 2,2-di(pyrazol-1-yl)acetic acid; triphenylphosphonium CAS Name: 2,2-bis(1-pyrazolyl)acetic acid; chlororuthenium; triphenylphosphonium IUPAC Name: chlororuthenium; 2,2-di(pyrazol-1-yl)acetic acid; triphenylphosphanium Traditional Name: chlororuthenium; 2,2-di(pyrazol-1-yl)acetic acid; triphenylphosphonium Formula: C44H40ClN4O2P2Ru+2 MolecularWeight: 855.284522

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Descriptors Computed from Structure

Canonical SMILES:

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.C1=CN(N=C1)C(C(=O)O)N2C=CC=N2.Cl[Ru]

Isomeric SMILES

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.C1=CN(N=C1)C(C(=O)O)N2C=CC=N2.Cl[Ru]

InChI

InChI=1S/2C18H15P.C8H8N4O2.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-8(14)7(11-5-1-3-9-11)12-6-2-4-10-12;;/h2*1-15H;1-7H,(H,13,14);1H;/q;;;;+1/p+1