N,N-dimethyl-3-(2-methyl-1H-inden-1-id-4-yl)aniline; zirconium(2+); dichloride

Systemtic Name: N,N-dimethyl-3-(2-methyl-1H-inden-1-id-4-yl)aniline; zirconium(2+); dichloride Openeye Name: N,N-dimethyl-3-(2-methyl-1H-inden-1-id-4-yl)aniline; zirconium(2+); dichloride CAS Name: N,N-dimethyl-3-(2-methyl-1H-inden-1-id-4-yl)aniline; zirconium(2+); dichloride IUPAC Name: N,N-dimethyl-3-(2-methyl-1H-inden-1-id-4-yl)aniline; zirconium(2+); dichloride Traditional Name: dimethyl-[3-(2-methyl-1H-inden-1-id-4-yl)phenyl]amine; zirconium(2+); dichloride Formula: C72H72Cl2N4Zr2-2 MolecularWeight: 1246.72288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC=C3)N(C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC=C3)N(C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC=C3)N(C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC=C3)N(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC=C3)N(C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC=C3)N(C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC=C3)N(C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC=C3)N(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C18H18N.2ClH.2Zr/c4*1-13-10-14-7-5-9-17(18(14)11-13)15-6-4-8-16(12-15)19(2)3;;;;/h4*4-12H,1-3H3;2*1H;;/q4*-1;;;2*+2/p-2