methanol; 4-methylbenzene-1,2-diol; 4-methylphenol; zirconium

Systemtic Name: methanol; 4-methylbenzene-1,2-diol; 4-methylphenol; zirconium Openeye Name: methanol; 4-methylbenzene-1,2-diol; p-cresol; zirconium CAS Name: methanol; 4-methylbenzene-1,2-diol; 4-methylphenol; zirconium IUPAC Name: methanol; 4-methylbenzene-1,2-diol; 4-methylphenol; zirconium Traditional Name: methanol; 4-methylpyrocatechol; p-cresol; zirconium Formula: C22H28O6Zr MolecularWeight: 479.67812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O2.C7H8O.CH4O.Zr/c2*1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-2;/h2*2-4,8-9H,1H3;2-5,8H,1H3;2H,1H3;