N,N-dimethyl-3-(2-methyl-1H-inden-1-id-2-yl)aniline; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: N,N-dimethyl-3-(2-methyl-1H-inden-1-id-2-yl)aniline; propan-2-ylidenezirconium(2+); dichloride Openeye Name: N,N-dimethyl-3-(2-methyl-1H-inden-1-id-2-yl)aniline; isopropylidenezirconium(2+); dichloride CAS Name: N,N-dimethyl-3-(2-methyl-1H-inden-1-id-2-yl)aniline; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: N,N-dimethyl-3-(2-methyl-1H-inden-1-id-2-yl)aniline; propan-2-ylidenezirconium(2+); dichloride Traditional Name: dimethyl-[3-(2-methyl-1H-inden-1-id-2-yl)phenyl]amine; isopropylidenezirconium(2+); dichloride Formula: C39H42Cl2N2Zr-2 MolecularWeight: 700.89418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC1(C=C2C=CC=CC2=[C-]1)C3=CC(=CC=C3)N(C)C.CC1(C=C2C=CC=CC2=[C-]1)C3=CC(=CC=C3)N(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC1(C=C2C=CC=CC2=[C-]1)C3=CC(=CC=C3)N(C)C.CC1(C=C2C=CC=CC2=[C-]1)C3=CC(=CC=C3)N(C)C.[Cl-].[Cl-]

InChI

InChI=1S/2C18H18N.C3H6.2ClH.Zr/c2*1-18(12-14-7-4-5-8-15(14)13-18)16-9-6-10-17(11-16)19(2)3;1-3-2;;;/h2*4-12H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2