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

Systemtic Name: 2-methanidylpropan-2-ylbenzene; zirconium(3+); chloride Openeye Name: (1-methanidyl-1-methyl-ethyl)benzene; zirconium(3+); chloride CAS Name: 2-methanidylpropan-2-ylbenzene; zirconium(3+); chloride IUPAC Name: 2-methanidylpropan-2-ylbenzene; zirconium(3+); chloride Traditional Name: (1-methanidyl-1-methyl-ethyl)benzene; zirconium(3+); chloride Formula: C30H39ClZr- MolecularWeight: 526.30766

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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.[Cl-].[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.[Cl-].[Zr+3]

InChI

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