methanidylbenzene; 2-methanidylpropan-2-ylbenzene; zirconium(4+)

Systemtic Name: methanidylbenzene; 2-methanidylpropan-2-ylbenzene; zirconium(4+) Openeye Name: methanidylbenzene; (1-methanidyl-1-methyl-ethyl)benzene; zirconium(4+) CAS Name: methanidylbenzene; 2-methanidylpropan-2-ylbenzene; zirconium(4+) IUPAC Name: methanidylbenzene; 2-methanidylpropan-2-ylbenzene; zirconium(4+) Traditional Name: methanidylbenzene; (1-methanidyl-1-methyl-ethyl)benzene; zirconium(4+) Formula: C68H80Zr2 MolecularWeight: 1079.8108

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.CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4].[Zr+4]

Isomeric SMILES

CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.CC(C)([CH2-])C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4].[Zr+4]

InChI

InChI=1S/4C10H13.4C7H7.2Zr/c4*1-10(2,3)9-7-5-4-6-8-9;4*1-7-5-3-2-4-6-7;;/h4*4-8H,1H2,2-3H3;4*2-6H,1H2;;/q8*-1;2*+4