3-(dicyclopropylmethyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 3-(dicyclopropylmethyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 3-(dicyclopropylmethyl)-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 3-(dicyclopropylmethyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-(dicyclopropylmethyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 3-(dicyclopropylmethyl)-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C70H80Cl2Zr2-2 MolecularWeight: 1174.7382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.C1CC1C(C2CC2)C3=C[CH-]C4=CC=CC=C43.C1CC1C(C2CC2)C3=C[CH-]C4=CC=CC=C43.C1CC1C(C2CC2)C3=C[CH-]C4=CC=CC=C43.C1CC1C(C2CC2)C3=C[CH-]C4=CC=CC=C43.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.C1CC1C(C2CC2)C3=C[CH-]C4=CC=CC=C43.C1CC1C(C2CC2)C3=C[CH-]C4=CC=CC=C43.C1CC1C(C2CC2)C3=C[CH-]C4=CC=CC=C43.C1CC1C(C2CC2)C3=C[CH-]C4=CC=CC=C43.[Cl-].[Cl-]

InChI

InChI=1S/4C16H17.2C3H6.2ClH.2Zr/c4*1-2-4-14-11(3-1)9-10-15(14)16(12-5-6-12)13-7-8-13;2*1-3-2;;;;/h4*1-4,9-10,12-13,16H,5-8H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2