cyclopentane; 1,2-diphenylethylidene-(2,4,6-tritert-butylphenyl)phosphane; zirconium(3+)

Systemtic Name: cyclopentane; 1,2-diphenylethylidene-(2,4,6-tritert-butylphenyl)phosphane; zirconium(3+) Openeye Name: cyclopentane; 1,2-diphenylethylidene-(2,4,6-tritert-butylphenyl)phosphane; zirconium(3+) CAS Name: cyclopentane; 1,2-diphenylethylidene-(2,4,6-tritert-butylphenyl)phosphine; zirconium(3+) IUPAC Name: cyclopentane; 1,2-diphenylethylidene-(2,4,6-tritert-butylphenyl)phosphane; zirconium(3+) Traditional Name: cyclopentane; 1,2-diphenylethylidene-(2,4,6-tritert-butylphenyl)phosphine; zirconium(3+) Formula: C42H50PZr+2 MolecularWeight: 677.044161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)P=C([CH-]C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)P=C([CH-]C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

InChI

InChI=1S/C32H40P.2C5H5.Zr/c1-30(2,3)25-21-26(31(4,5)6)29(27(22-25)32(7,8)9)33-28(24-18-14-11-15-19-24)20-23-16-12-10-13-17-23;2*1-2-4-5-3-1;/h10-22H,1-9H3;2*1-5H;/q-1;;;+3