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

Systemtic Name: ethanol; 2-methanidylpropan-2-ylbenzene; zirconium(3+) Openeye Name: ethanol; (1-methanidyl-1-methyl-ethyl)benzene; zirconium(3+) CAS Name: ethanol; 2-methanidylpropan-2-ylbenzene; zirconium(3+) IUPAC Name: ethanol; 2-methanidylpropan-2-ylbenzene; zirconium(3+) Traditional Name: ethanol; (1-methanidyl-1-methyl-ethyl)benzene; zirconium(3+) Formula: C32H45OZr MolecularWeight: 536.9231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H13.C2H6O.Zr/c3*1-10(2,3)9-7-5-4-6-8-9;1-2-3;/h3*4-8H,1H2,2-3H3;3H,2H2,1H3;/q3*-1;;+3