methanidylbenzene; 4-methylphenol; zirconium(3+)

Systemtic Name: methanidylbenzene; 4-methylphenol; zirconium(3+) Openeye Name: methanidylbenzene; p-cresol; zirconium(3+) CAS Name: methanidylbenzene; 4-methylphenol; zirconium(3+) IUPAC Name: methanidylbenzene; 4-methylphenol; zirconium(3+) Traditional Name: methanidylbenzene; p-cresol; zirconium(3+) Formula: C28H29OZr MolecularWeight: 472.75326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)O.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

Isomeric SMILES

CC1=CC=C(C=C1)O.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

InChI

InChI=1S/C7H8O.3C7H7.Zr/c1-6-2-4-7(8)5-3-6;3*1-7-5-3-2-4-6-7;/h2-5,8H,1H3;3*2-6H,1H2;/q;3*-1;+3