copper(1+); ethynylbenzene; triphenylphosphane

Systemtic Name: copper(1+); ethynylbenzene; triphenylphosphane Openeye Name: tetracuprous; ethynylbenzene; triphenylphosphane CAS Name: copper(1+); ethynylbenzene; triphenylphosphine IUPAC Name: copper(1+); ethynylbenzene; triphenylphosphane Traditional Name: tetracuprous; ethynylbenzene; triphenylphosphine Formula: C104H80Cu4P4 MolecularWeight: 1707.827044

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cu+].[Cu+].[Cu+].[Cu+]

Isomeric SMILES

[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cu+].[Cu+].[Cu+].[Cu+]

InChI

InChI=1S/4C18H15P.4C8H5.4Cu/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2-8-6-4-3-5-7-8;;;;/h4*1-15H;4*3-7H;;;;/q;;;;4*-1;4*+1