benzeneselenol; copper; ethane-1,1-diol; $l^{1}-selanylbenzene; (4-methylsulfanylphenyl)-diphenyl-phosphanium; selenium

Systemtic Name: benzeneselenol; copper; ethane-1,1-diol; $l^{1}-selanylbenzene; (4-methylsulfanylphenyl)-diphenyl-phosphanium; selenium Openeye Name: benzeneselenol; copper; ethane-1,1-diol; $l^{1}-selanylbenzene; (4-methylsulfanylphenyl)-diphenyl-phosphonium; selenium CAS Name: benzeneselenol; copper; ethane-1,1-diol; $l^{1}-selanylbenzene; [4-(methylthio)phenyl]-diphenylphosphonium; selenium IUPAC Name: benzeneselenol; copper; ethane-1,1-diol; $l^{1}-selanylbenzene; (4-methylsulfanylphenyl)-diphenylphosphanium; selenium Traditional Name: benzeneselenol; copper; ethane-1,1-diol; $l^{1}-selanylbenzene; [4-(methylthio)phenyl]-diphenyl-phosphonium; selenium Formula: C122H134Cu20O12P2S2Se13+2 MolecularWeight: 4215.839682

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CSC1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.CSC1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Se]

Isomeric SMILES

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CSC1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.CSC1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].C1=CC=C(C=C1)[Se].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Se]

InChI

InChI=1S/2C19H17PS.2C6H6Se.10C6H5Se.6C2H6O2.20Cu.Se/c2*1-21-19-14-12-18(13-15-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17;12*7-6-4-2-1-3-5-6;6*1-2(3)4;;;;;;;;;;;;;;;;;;;;;/h2*2-15H,1H3;2*1-5,7H;10*1-5H;6*2-4H,1H3;;;;;;;;;;;;;;;;;;;;;/p+2