benzene; chloranylruthenium(1+); [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; chloride

Systemtic Name: benzene; chloranylruthenium(1+); [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; chloride Openeye Name: benzene; chlororuthenium(1+); [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane; chloride CAS Name: benzene; chlororuthenium(1+); [1-(2-diphenylphosphino-1-naphthalenyl)-2-naphthalenyl]-diphenylphosphine; chloride IUPAC Name: benzene; chlororuthenium(1+); [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane; chloride Traditional Name: benzene; chlororuthenium(1+); [1-(2-diphenylphosphino-1-naphthyl)-2-naphthyl]-diphenyl-phosphine; chloride Formula: C50H38Cl2P2Ru MolecularWeight: 872.760242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].Cl[Ru+]

Isomeric SMILES

C1=CC=CC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].Cl[Ru+]

InChI

InChI=1S/C44H32P2.C6H6.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-2-4-6-5-3-1;;;/h1-32H;1-6H;2*1H;/q;;;;+2/p-2