dilithium; oxolane; phenylbenzene; zirconium(4+)

Systemtic Name: dilithium; oxolane; phenylbenzene; zirconium(4+) Openeye Name: dilithium; phenylbenzene; tetrahydrofuran; zirconium(4+) CAS Name: dilithium; oxolane; phenylbenzene; zirconium(4+) IUPAC Name: dilithium; oxolane; phenylbenzene; zirconium(4+) Traditional Name: dilithium; phenylbenzene; tetrahydrofuran; zirconium(4+) Formula: C68H88Li2O8Zr MolecularWeight: 1138.52752

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1=CC=C([C-]=C1)C2=CC=CC=[C-]2.C1=CC=C([C-]=C1)C2=CC=CC=[C-]2.C1=CC=C([C-]=C1)C2=CC=CC=[C-]2.[Zr+4]

Isomeric SMILES

[Li+].[Li+].C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1=CC=C([C-]=C1)C2=CC=CC=[C-]2.C1=CC=C([C-]=C1)C2=CC=CC=[C-]2.C1=CC=C([C-]=C1)C2=CC=CC=[C-]2.[Zr+4]

InChI

InChI=1S/3C12H8.8C4H8O.2Li.Zr/c3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;8*1-2-4-5-3-1;;;/h3*1-7,9H;8*1-4H2;;;/q3*-2;;;;;;;;;2*+1;+4