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

Systemtic Name: 2-methanidylpropan-2-ylbenzene; methanol; zirconium(2+) Openeye Name: (1-methanidyl-1-methyl-ethyl)benzene; methanol; zirconium(2+) CAS Name: 2-methanidylpropan-2-ylbenzene; methanol; zirconium(2+) IUPAC Name: 2-methanidylpropan-2-ylbenzene; methanol; zirconium(2+) Traditional Name: (1-methanidyl-1-methyl-ethyl)benzene; methanol; zirconium(2+) Formula: C22H34O2Zr MolecularWeight: 421.72816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H13.2CH4O.Zr/c2*1-10(2,3)9-7-5-4-6-8-9;2*1-2;/h2*4-8H,1H2,2-3H3;2*2H,1H3;/q2*-1;;;+2