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

Systemtic Name: 2-methanidylpropan-2-ylbenzene; methanol; zirconium(3+) Openeye Name: (1-methanidyl-1-methyl-ethyl)benzene; methanol; zirconium(3+) CAS Name: 2-methanidylpropan-2-ylbenzene; methanol; zirconium(3+) IUPAC Name: 2-methanidylpropan-2-ylbenzene; methanol; zirconium(3+) Traditional Name: (1-methanidyl-1-methyl-ethyl)benzene; methanol; zirconium(3+) Formula: C31H43OZr MolecularWeight: 522.89652

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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.CO.[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.CO.[Zr+3]

InChI

InChI=1S/3C10H13.CH4O.Zr/c3*1-10(2,3)9-7-5-4-6-8-9;1-2;/h3*4-8H,1H2,2-3H3;2H,1H3;/q3*-1;;+3