methanidylbenzene; phenol; zirconium(3+)

Systemtic Name: methanidylbenzene; phenol; zirconium(3+) Openeye Name: methanidylbenzene; phenol; zirconium(3+) CAS Name: methanidylbenzene; phenol; zirconium(3+) IUPAC Name: methanidylbenzene; phenol; zirconium(3+) Traditional Name: methanidylbenzene; phenol; zirconium(3+) Formula: C27H27OZr MolecularWeight: 458.72668

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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.C1=CC=C(C=C1)O.[Zr+3]

Isomeric SMILES

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C1=CC=C(C=C1)O.[Zr+3]

InChI

InChI=1S/3C7H7.C6H6O.Zr/c3*1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;/h3*2-6H,1H2;1-5,7H;/q3*-1;;+3