2-methanidylpropan-2-ylbenzene; phenol; zirconium(3+)

Systemtic Name: 2-methanidylpropan-2-ylbenzene; phenol; zirconium(3+) Openeye Name: (1-methanidyl-1-methyl-ethyl)benzene; phenol; zirconium(3+) CAS Name: 2-methanidylpropan-2-ylbenzene; phenol; zirconium(3+) IUPAC Name: 2-methanidylpropan-2-ylbenzene; phenol; zirconium(3+) Traditional Name: (1-methanidyl-1-methyl-ethyl)benzene; phenol; zirconium(3+) Formula: C36H45OZr MolecularWeight: 584.9659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H13.C6H6O.Zr/c3*1-10(2,3)9-7-5-4-6-8-9;7-6-4-2-1-3-5-6;/h3*4-8H,1H2,2-3H3;1-5,7H;/q3*-1;;+3