octanoylazanide; titanium(4+); hexachloride

Systemtic Name: octanoylazanide; titanium(4+); hexachloride Openeye Name: octanoylazanide; titanium(4+); hexachloride CAS Name: 1-oxooctylazanide; titanium(4+); hexachloride IUPAC Name: octanoylazanide; titanium(4+); hexachloride Traditional Name: caprylylazanide; titanium(4+); hexachloride Formula: C48H96Cl6N6O6Ti3 MolecularWeight: 1209.63144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C8H17NO.6ClH.3Ti/c6*1-2-3-4-5-6-7-8(9)10;;;;;;;;;/h6*2-7H2,1H3,(H2,9,10);6*1H;;;/q;;;;;;;;;;;;3*+4/p-12