benzeneselenol; copper; $l^{1}-selanylbenzene; selenium; tris(4-methylsulfanylphenyl)phosphanium

Systemtic Name: benzeneselenol; copper; $l^{1}-selanylbenzene; selenium; tris(4-methylsulfanylphenyl)phosphanium Openeye Name: benzeneselenol; copper; $l^{1}-selanylbenzene; selenium; tris(4-methylsulfanylphenyl)phosphonium CAS Name: benzeneselenol; copper; $l^{1}-selanylbenzene; selenium; tris[4-(methylthio)phenyl]phosphonium IUPAC Name: benzeneselenol; copper; $l^{1}-selanylbenzene; selenium; tris(4-methylsulfanylphenyl)phosphanium Traditional Name: benzeneselenol; copper; $l^{1}-selanylbenzene; selenium; tris[4-(methylthio)phenyl]phosphonium Formula: C180H179Cu15P6S18Se12+6 MolecularWeight: 5006.069826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C21H21PS3.2C6H6Se.7C6H5Se.15Cu.3Se/c6*1-23-19-10-4-16(5-11-19)22(17-6-12-20(24-2)13-7-17)18-8-14-21(25-3)15-9-18;9*7-6-4-2-1-3-5-6;;;;;;;;;;;;;;;;;;/h6*4-15H,1-3H3;2*1-5,7H;7*1-5H;;;;;;;;;;;;;;;;;;/p+6