carbanide; cyclohexadecane-1,5,9,13-tetramine; methanol; titanium(3+); dichloride

Systemtic Name: carbanide; cyclohexadecane-1,5,9,13-tetramine; methanol; titanium(3+); dichloride Openeye Name: carbanide; cyclohexadecane-1,5,9,13-tetramine; methanol; titanium(3+); dichloride CAS Name: carbanide; cyclohexadecane-1,5,9,13-tetramine; methanol; titanium(3+); dichloride IUPAC Name: carbanide; cyclohexadecane-1,5,9,13-tetramine; methanol; titanium(3+); dichloride Traditional Name: carbanide; methanol; titanium(3+); (5,9,13-triaminocyclohexadecyl)amine; dichloride Formula: C19H45Cl2N4OTi-2 MolecularWeight: 464.3598

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CO.C1CC(CCCC(CCC[C-](CCCC(C1)N)N)N)N.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

[CH3-].[CH3-].CO.C1CC(CCCC(CCC[C-](CCCC(C1)N)N)N)N.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C16H35N4.CH4O.2CH3.2ClH.Ti/c17-13-5-1-6-14(18)8-3-10-16(20)12-4-11-15(19)9-2-7-13;1-2;;;;;/h13-15H,1-12,17-20H2;2H,1H3;2*1H3;2*1H;/q-1;;2*-1;;;+3/p-2