decanoylazanide; titanium(4+); hexachloride

Systemtic Name: decanoylazanide; titanium(4+); hexachloride Openeye Name: decanoylazanide; titanium(4+); hexachloride CAS Name: 1-oxodecylazanide; titanium(4+); hexachloride IUPAC Name: decanoylazanide; titanium(4+); hexachloride Traditional Name: caprylazanide; titanium(4+); hexachloride Formula: C60H120Cl6N6O6Ti3 MolecularWeight: 1377.9504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Ti+4].[Ti+4]

Isomeric SMILES

CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].CCCCCCCCCC(=O)[NH-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Ti+4].[Ti+4]

InChI

InChI=1S/6C10H21NO.6ClH.3Ti/c6*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;;/h6*2-9H2,1H3,(H2,11,12);6*1H;;;/q;;;;;;;;;;;;3*+4/p-12