cyclopenta-1,3-diene; [2,4-ditert-butyl-6-(2-methanidylpropan-2-yl)phenyl]azanide; zirconium

Systemtic Name: cyclopenta-1,3-diene; [2,4-ditert-butyl-6-(2-methanidylpropan-2-yl)phenyl]azanide; zirconium Openeye Name: cyclopenta-1,3-diene; [2,4-ditert-butyl-6-(1-methanidyl-1-methyl-ethyl)phenyl]azanide; zirconium CAS Name: cyclopenta-1,3-diene; [2,4-ditert-butyl-6-(2-methanidylpropan-2-yl)phenyl]azanide; zirconium IUPAC Name: cyclopenta-1,3-diene; [2,4-ditert-butyl-6-(2-methanidylpropan-2-yl)phenyl]azanide; zirconium Traditional Name: cyclopenta-1,3-diene; [2,4-ditert-butyl-6-(1-methanidyl-1-methyl-ethyl)phenyl]azanide; zirconium Formula: C28H39NZr-4 MolecularWeight: 480.83996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[NH-])C(C)(C)[CH2-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[NH-])C(C)(C)[CH2-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr]

InChI

InChI=1S/C18H29N.2C5H5.Zr/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;2*1-2-4-5-3-1;/h10-11,19H,4H2,1-3,5-9H3;2*1-5H;/q-2;2*-1;