5,5-bis[2,6-di(propan-2-yl)phenyl]-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride

Systemtic Name: 5,5-bis[2,6-di(propan-2-yl)phenyl]-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride Openeye Name: 5,5-bis(2,6-diisopropylphenyl)-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride CAS Name: 5,5-bis[2,6-di(propan-2-yl)phenyl]-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride IUPAC Name: 5,5-bis[2,6-di(propan-2-yl)phenyl]-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride Traditional Name: 5,5-bis(2,6-diisopropylphenyl)-1,4-diaza-5-azoniabicyclo[2.1.1]hex-2-ene; cyclopenta-1,3-diene; titanium(3+); dichloride Formula: C32H43Cl2N3Ti+ MolecularWeight: 588.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)[N+]2(N3CN2C=C3)C4=C(C=CC=C4C(C)C)C(C)C.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)[N+]2(N3CN2C=C3)C4=C(C=CC=C4C(C)C)C(C)C.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C27H38N3.C5H5.2ClH.Ti/c1-18(2)22-11-9-12-23(19(3)4)26(22)30(28-15-16-29(30)17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-4-5-3-1;;;/h9-16,18-21H,17H2,1-8H3;1-3H,4H2;2*1H;/q+1;-1;;;+3/p-2