1-(6,10-diethanoyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(4+); trichloride

Systemtic Name: 1-(6,10-diethanoyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(4+); trichloride Openeye Name: 1-(6,10-diacetyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(4+); trichloride CAS Name: 1-(6,10-diacetyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(4+); trichloride IUPAC Name: 1-(6,10-diacetyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(4+); trichloride Traditional Name: 1-(6,10-diacetyl-1,5-diaza-9-azanidacyclododec-2-yl)ethanone; titanium(4+); trichloride Formula: C15H26Cl3N3O3Ti MolecularWeight: 450.61124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCNC(CC[N-]C(CCN1)C(=O)C)C(=O)C.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CC(=O)C1CCNC(CC[N-]C(CCN1)C(=O)C)C(=O)C.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C15H26N3O3.3ClH.Ti/c1-10(19)13-4-7-17-15(12(3)21)6-9-18-14(11(2)20)5-8-16-13;;;;/h13-17H,4-9H2,1-3H3;3*1H;/q-1;;;;+4/p-3