1-tert-butyl-2,3-bis(phenylmethylidene)phosphirane; cyclopentane; zirconium(4+)

Systemtic Name: 1-tert-butyl-2,3-bis(phenylmethylidene)phosphirane; cyclopentane; zirconium(4+) Openeye Name: 1-tert-butyl-2,3-bis(phenylmethylene)phosphirane; cyclopentane; zirconium(4+) CAS Name: 1-tert-butyl-2,3-bis(phenylmethylidene)phosphirane; cyclopentane; zirconium(4+) IUPAC Name: 1-tert-butyl-2,3-bis(phenylmethylidene)phosphirane; cyclopentane; zirconium(4+) Traditional Name: 1-tert-butyl-2,3-bis(phenylmethylene)phosphirane; cyclopentane; zirconium(4+) Formula: C30H29PZr+2 MolecularWeight: 511.749021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P1C(=[C-]C2=CC=CC=C2)C1=[C-]C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

CC(C)(C)P1C(=[C-]C2=CC=CC=C2)C1=[C-]C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C20H19P.2C5H5.Zr/c1-20(2,3)21-18(14-16-10-6-4-7-11-16)19(21)15-17-12-8-5-9-13-17;2*1-2-4-5-3-1;/h4-13H,1-3H3;2*1-5H;/q-2;;;+4