decanoate; titanium(2+)

Systemtic Name: decanoate; titanium(2+) Openeye Name: decanoate; titanium(2+) CAS Name: decanoate; titanium(2+) IUPAC Name: decanoate; titanium(2+) Traditional Name: caprate; titanium(2+) Formula: C60H114O12Ti3 MolecularWeight: 1171.14096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/6C10H20O2.3Ti/c6*1-2-3-4-5-6-7-8-9-10(11)12;;;/h6*2-9H2,1H3,(H,11,12);;;/q;;;;;;3*+2/p-6