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

Systemtic Name: ethanol; 2-methanidylpropan-2-ylbenzene; zirconium(2+) Openeye Name: ethanol; (1-methanidyl-1-methyl-ethyl)benzene; zirconium(2+) CAS Name: ethanol; 2-methanidylpropan-2-ylbenzene; zirconium(2+) IUPAC Name: ethanol; 2-methanidylpropan-2-ylbenzene; zirconium(2+) Traditional Name: ethanol; (1-methanidyl-1-methyl-ethyl)benzene; zirconium(2+) Formula: C24H38O2Zr MolecularWeight: 449.78132

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCO.CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.[Zr+2]

Isomeric SMILES

CCO.CCO.CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.[Zr+2]

InChI

InChI=1S/2C10H13.2C2H6O.Zr/c2*1-10(2,3)9-7-5-4-6-8-9;2*1-2-3;/h2*4-8H,1H2,2-3H3;2*3H,2H2,1H3;/q2*-1;;;+2