methanidylbenzene; zirconium(4+); hydrate

Systemtic Name: methanidylbenzene; zirconium(4+); hydrate Openeye Name: methanidylbenzene; zirconium(4+); hydrate CAS Name: methanidylbenzene; zirconium(4+); hydrate IUPAC Name: methanidylbenzene; zirconium(4+); hydrate Traditional Name: methanidylbenzene; zirconium(4+); hydrate Formula: C56H58OZr2 MolecularWeight: 929.50712

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.O.[Zr+4].[Zr+4]

Isomeric SMILES

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.O.[Zr+4].[Zr+4]

InChI

InChI=1S/8C7H7.H2O.2Zr/c8*1-7-5-3-2-4-6-7;;;/h8*2-6H,1H2;1H2;;/q8*-1;;2*+4