1-[2-ethyl-7-[2-(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)propan-2-yl]-3H-inden-3-id-1-yl]naphthalene; titanium(4+); dichloride

Systemtic Name: 1-[2-ethyl-7-[2-(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)propan-2-yl]-3H-inden-3-id-1-yl]naphthalene; titanium(4+); dichloride Openeye Name: 1-[2-ethyl-7-[1-[2-ethyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]-1-methyl-ethyl]-3H-inden-3-id-1-yl]naphthalene; titanium(4+); dichloride CAS Name: 1-[2-ethyl-7-[2-[2-ethyl-3-(1-naphthalenyl)-1H-inden-1-id-4-yl]propan-2-yl]-3H-inden-3-id-1-yl]naphthalene; titanium(4+); dichloride IUPAC Name: 1-[2-ethyl-7-[2-(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)propan-2-yl]-3H-inden-3-id-1-yl]naphthalene; titanium(4+); dichloride Traditional Name: 1-[2-ethyl-7-[1-[2-ethyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]-1-methyl-ethyl]-3H-inden-3-id-1-yl]naphthalene; titanium(4+); dichloride Formula: C45H38Cl2Ti MolecularWeight: 697.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]1)C=CC=C2C(C)(C)C3=CC=CC4=C3C(=C([CH-]4)CC)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=CC=C2C(C)(C)C3=CC=CC4=C3C(=C([CH-]4)CC)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C45H38.2ClH.Ti/c1-5-29-27-33-19-13-25-39(43(33)41(29)37-23-11-17-31-15-7-9-21-35(31)37)45(3,4)40-26-14-20-34-28-30(6-2)42(44(34)40)38-24-12-18-32-16-8-10-22-36(32)38;;;/h7-28H,5-6H2,1-4H3;2*1H;/q-2;;;+4/p-2