dimethyl(phenyl)phosphanium; 2-diphenylphosphaniumylethyl(diphenyl)phosphanium; oxidanyl(phenyl)methanethiolate; ruthenium(2+); thiobenzate

Systemtic Name: dimethyl(phenyl)phosphanium; 2-diphenylphosphaniumylethyl(diphenyl)phosphanium; oxidanyl(phenyl)methanethiolate; ruthenium(2+); thiobenzate Openeye Name: dimethyl(phenyl)phosphonium; 2-diphenylphosphaniumylethyl(diphenyl)phosphonium; hydroxy(phenyl)methanethiolate; ruthenium(2+); thiobenzate CAS Name: dimethyl(phenyl)phosphonium; 2-diphenylphosphiniumylethyl(diphenyl)phosphonium; hydroxy(phenyl)methanethiolate; ruthenium(2+); thiobenzate IUPAC Name: dimethyl(phenyl)phosphanium; 2-diphenylphosphaniumylethyl(diphenyl)phosphanium; hydroxy(phenyl)methanethiolate; ruthenium(2+); thiobenzate Traditional Name: dimethyl(phenyl)phosphonium; 2-diphenylphosphiniumylethyl(diphenyl)phosphonium; hydroxy(phenyl)methanethiolate; ruthenium(2+); thiobenzate Formula: C48H50O2P3RuS2+3 MolecularWeight: 917.030683

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Descriptors Computed from Structure

Canonical SMILES:

C[PH+](C)C1=CC=CC=C1.C1=CC=C(C=C1)C(O)[S-].C1=CC=C(C=C1)C(=O)[S-].C1=CC=C(C=C1)[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Ru+2]

Isomeric SMILES

C[PH+](C)C1=CC=CC=C1.C1=CC=C(C=C1)C(O)[S-].C1=CC=C(C=C1)C(=O)[S-].C1=CC=C(C=C1)[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Ru+2]

InChI

InChI=1S/C26H24P2.C8H11P.C7H8OS.C7H6OS.Ru/c1-5-13-23(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;1-9(2)8-6-4-3-5-7-8;2*8-7(9)6-4-2-1-3-5-6;/h1-20H,21-22H2;3-7H,1-2H3;1-5,7-9H;1-5H,(H,8,9);/q;;;;+2/p+1