chloranylcopper; cyclohexyl-phenyl-(2-phenylethynyl)phosphanium; diphenyl(2-phenylethynyl)phosphanium

Systemtic Name: chloranylcopper; cyclohexyl-phenyl-(2-phenylethynyl)phosphanium; diphenyl(2-phenylethynyl)phosphanium Openeye Name: chlorocopper; cyclohexyl-phenyl-(2-phenylethynyl)phosphonium; diphenyl(2-phenylethynyl)phosphonium CAS Name: chlorocopper; cyclohexyl-phenyl-(2-phenylethynyl)phosphonium; diphenyl(2-phenylethynyl)phosphonium IUPAC Name: chlorocopper; cyclohexyl-phenyl-(2-phenylethynyl)phosphanium; diphenyl(2-phenylethynyl)phosphanium Traditional Name: chlorocopper; cyclohexyl-phenyl-(2-phenylethynyl)phosphonium; diphenyl(2-phenylethynyl)phosphonium Formula: C60H54ClCuP3+3 MolecularWeight: 966.991043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[PH+](C#CC2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C#C[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C#C[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Cu]

Isomeric SMILES

C1CCC(CC1)[PH+](C#CC2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C#C[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C#C[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Cu]

InChI

InChI=1S/C20H21P.2C20H15P.ClH.Cu/c3*1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20;;/h1-2,4-7,10-13,20H,3,8-9,14-15H2;2*1-15H;1H;/q;;;;+1/p+2