2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-1,5-dimethyl-pyrrole; hafnium(4+); dichloride

Systemtic Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-1,5-dimethyl-pyrrole; hafnium(4+); dichloride Openeye Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-1,5-dimethyl-pyrrole; hafnium(4+); dichloride CAS Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-1,5-dimethylpyrrole; hafnium(4+); dichloride IUPAC Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-1,5-dimethylpyrrole; hafnium(4+); dichloride Traditional Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-1,5-dimethyl-pyrrole; hafnium(4+); dichloride Formula: C50H52Cl2HfN2 MolecularWeight: 930.35728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C2[C-]=CC3=C(C=CC=C23)C4=CC=C(C=C4)C(C)(C)C.CC1=CC=C(N1C)C2[C-]=CC3=C(C=CC=C23)C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CC1=CC=C(N1C)C2[C-]=CC3=C(C=CC=C23)C4=CC=C(C=C4)C(C)(C)C.CC1=CC=C(N1C)C2[C-]=CC3=C(C=CC=C23)C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Hf+4]

InChI

InChI=1S/2C25H26N.2ClH.Hf/c2*1-17-9-16-24(26(17)5)23-15-14-22-20(7-6-8-21(22)23)18-10-12-19(13-11-18)25(2,3)4;;;/h2*6-14,16,23H,1-5H3;2*1H;/q2*-1;;;+4/p-2