benzenethiolate; copper; copper(1+); diphenylphosphaniumylmethyl(diphenyl)phosphanium; ethanenitrile

Systemtic Name: benzenethiolate; copper; copper(1+); diphenylphosphaniumylmethyl(diphenyl)phosphanium; ethanenitrile Openeye Name: cuprous; acetonitrile; benzenethiolate; copper; diphenylphosphaniumylmethyl(diphenyl)phosphonium CAS Name: acetonitrile; benzenethiolate; copper; copper(1+); diphenylphosphiniumylmethyl(diphenyl)phosphonium IUPAC Name: acetonitrile; benzenethiolate; copper; copper(1+); diphenylphosphaniumylmethyl(diphenyl)phosphanium Traditional Name: cuprous; acetonitrile; benzenethiolate; copper; diphenylphosphiniumylmethyl(diphenyl)phosphonium Formula: C58H56Cu2NP4S+4 MolecularWeight: 1050.123984

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC=C(C=C1)[PH+](C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[S-].[Cu].[Cu+]

Isomeric SMILES

CC#N.C1=CC=C(C=C1)[PH+](C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[S-].[Cu].[Cu+]

InChI

InChI=1S/2C25H22P2.C6H6S.C2H3N.2Cu/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;7-6-4-2-1-3-5-6;1-2-3;;/h2*1-20H,21H2;1-5,7H;1H3;;/q;;;;;+1/p+3