chloranylruthenium(1+); diethyl(phenyl)phosphane; methanone; oxoazanide; triphenylphosphane

Systemtic Name: chloranylruthenium(1+); diethyl(phenyl)phosphane; methanone; oxoazanide; triphenylphosphane Openeye Name: chlororuthenium(1+); diethyl(phenyl)phosphane; methanone; nitroxyl anion; triphenylphosphane CAS Name: chlororuthenium(1+); diethyl(phenyl)phosphine; methanone; nitroxyl anion; triphenylphosphine IUPAC Name: chlororuthenium(1+); diethyl(phenyl)phosphane; methanone; nitroxyl anion; triphenylphosphane Traditional Name: chlororuthenium(1+); diethyl(phenyl)phosphine; methanone; nitroxyl anion; triphenylphosphine Formula: C85H91Cl2NO2P6Ru2 MolecularWeight: 1617.526106

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Descriptors Computed from Structure

Canonical SMILES:

CCP(CC)C1=CC=CC=C1.CCP(CC)C1=CC=CC=C1.CCP(CC)C1=CC=CC=C1.[CH-]=O.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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[N-]=O.Cl[Ru+].Cl[Ru+]

Isomeric SMILES

CCP(CC)C1=CC=CC=C1.CCP(CC)C1=CC=CC=C1.CCP(CC)C1=CC=CC=C1.[CH-]=O.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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[N-]=O.Cl[Ru+].Cl[Ru+]

InChI

InChI=1S/3C18H15P.3C10H15P.CHO.2ClH.NO.2Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-3-11(4-2)10-8-6-5-7-9-10;1-2;;;1-2;;/h3*1-15H;3*5-9H,3-4H2,1-2H3;1H;2*1H;;;/q;;;;;;-1;;;-1;2*+2/p-2