methanidylbenzene; 4-methylphenol; zirconium

Systemtic Name: methanidylbenzene; 4-methylphenol; zirconium Openeye Name: methanidylbenzene; p-cresol; zirconium CAS Name: methanidylbenzene; 4-methylphenol; zirconium IUPAC Name: methanidylbenzene; 4-methylphenol; zirconium Traditional Name: methanidylbenzene; p-cresol; zirconium Formula: C28H31O3Zr- MolecularWeight: 506.76794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H8O.C7H7.Zr/c3*1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;/h3*2-5,8H,1H3;2-6H,1H2;/q;;;-1;