cyclopenta-1,3-diene; dimethyl(dioctadecyl)azanium; titanium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; dimethyl(dioctadecyl)azanium; titanium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; dimethyl(dioctadecyl)ammonium; titanium(2+); dichloride CAS Name: cyclopenta-1,3-diene; dimethyl(dioctadecyl)ammonium; titanium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; dimethyl(dioctadecyl)azanium; titanium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; dimethyl(distearyl)ammonium; titanium(2+); dichloride Formula: C48H90Cl2NTi- MolecularWeight: 800.0079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C38H80N.2C5H5.2ClH.Ti/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;2*1-2-4-5-3-1;;;/h5-38H2,1-4H3;2*1-3H,4H2;2*1H;/q+1;2*-1;;;+2/p-2