ditert-butyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride

Systemtic Name: ditert-butyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride Openeye Name: ditert-butyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride CAS Name: ditert-butyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphine; zirconium(2+); dichloride IUPAC Name: ditert-butyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride Traditional Name: ditert-butyl-(4,7-dimethyl-1H-inden-1-id-2-yl)phosphine; zirconium(2+); dichloride Formula: C76H112Cl2P4Zr2-2 MolecularWeight: 1402.951524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2[CH-]C(=CC2=C(C=C1)C)P(C(C)(C)C)C(C)(C)C.CC1=C2[CH-]C(=CC2=C(C=C1)C)P(C(C)(C)C)C(C)(C)C.CC1=C2[CH-]C(=CC2=C(C=C1)C)P(C(C)(C)C)C(C)(C)C.CC1=C2[CH-]C(=CC2=C(C=C1)C)P(C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C2[CH-]C(=CC2=C(C=C1)C)P(C(C)(C)C)C(C)(C)C.CC1=C2[CH-]C(=CC2=C(C=C1)C)P(C(C)(C)C)C(C)(C)C.CC1=C2[CH-]C(=CC2=C(C=C1)C)P(C(C)(C)C)C(C)(C)C.CC1=C2[CH-]C(=CC2=C(C=C1)C)P(C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C19H28P.2ClH.2Zr/c4*1-13-9-10-14(2)17-12-15(11-16(13)17)20(18(3,4)5)19(6,7)8;;;;/h4*9-12H,1-8H3;2*1H;;/q4*-1;;;2*+2/p-2