benzene; carbanide; cyclohexadecane-1,5,9,13-tetramine; titanium(4+); dichloride

Systemtic Name: benzene; carbanide; cyclohexadecane-1,5,9,13-tetramine; titanium(4+); dichloride Openeye Name: benzene; carbanide; cyclohexadecane-1,5,9,13-tetramine; titanium(4+); dichloride CAS Name: benzene; carbanide; cyclohexadecane-1,5,9,13-tetramine; titanium(4+); dichloride IUPAC Name: benzene; carbanide; cyclohexadecane-1,5,9,13-tetramine; titanium(4+); dichloride Traditional Name: benzene; carbanide; titanium(4+); (5,9,13-triaminocyclohexadecyl)amine; dichloride Formula: C24H46Cl2N4Ti-2 MolecularWeight: 509.42184

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C1CC(CCCC(CCC[C-](CCCC(C1)N)N)N)N.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

[CH3-].[CH3-].C1CC(CCCC(CCC[C-](CCCC(C1)N)N)N)N.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C16H35N4.C6H5.2CH3.2ClH.Ti/c17-13-5-1-6-14(18)8-3-10-16(20)12-4-11-15(19)9-2-7-13;1-2-4-6-5-3-1;;;;;/h13-15H,1-12,17-20H2;1-5H;2*1H3;2*1H;/q4*-1;;;+4/p-2