copper(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; ethanenitrile; diperchlorate

Systemtic Name: copper(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; ethanenitrile; diperchlorate Openeye Name: dicuprous; acetonitrile; 2-diphenylphosphanylethyl(diphenyl)phosphane; diperchlorate CAS Name: acetonitrile; copper(1+); 2-diphenylphosphinoethyl(diphenyl)phosphine; diperchlorate IUPAC Name: acetonitrile; copper(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; diperchlorate Traditional Name: dicuprous; acetonitrile; 2-diphenylphosphinoethyl(diphenyl)phosphine; diperchlorate Formula: C82H78Cl2Cu2N2O8P6 MolecularWeight: 1603.345886

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cu+].[Cu+]

Isomeric SMILES

CC#N.CC#N.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cu+].[Cu+]

InChI

InChI=1S/3C26H24P2.2C2H3N.2ClHO4.2Cu/c3*1-5-13-23(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;2*1-2-3;2*2-1(3,4)5;;/h3*1-20H,21-22H2;2*1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+1/p-2