chloranylruthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1-ethynyl-4-nitro-benzene

Systemtic Name: chloranylruthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1-ethynyl-4-nitro-benzene Openeye Name: chlororuthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1-ethynyl-4-nitro-benzene CAS Name: chlororuthenium(1+); 2-diphenylphosphinoethyl(diphenyl)phosphine; 1-ethynyl-4-nitrobenzene IUPAC Name: chlororuthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1-ethynyl-4-nitrobenzene Traditional Name: chlororuthenium(1+); 2-diphenylphosphinoethyl(diphenyl)phosphine; 1-ethynyl-4-nitro-benzene Formula: C60H52ClNO2P4Ru MolecularWeight: 1079.478424

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ru+]

Isomeric SMILES

[C-]#CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ru+]

InChI

InChI=1S/2C26H24P2.C8H4NO2.ClH.Ru/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-7-3-5-8(6-4-7)9(10)11;;/h2*1-20H,21-22H2;3-6H;1H;/q;;-1;;+2/p-1