10-propoxyoxecane-2-carboxylate; titanium(4+)

Systemtic Name: 10-propoxyoxecane-2-carboxylate; titanium(4+) Openeye Name: 10-propoxyoxecane-2-carboxylate; titanium(4+) CAS Name: 10-propoxy-2-oxecanecarboxylate; titanium(4+) IUPAC Name: 10-propoxyoxecane-2-carboxylate; titanium(4+) Traditional Name: 10-propoxyoxecane-2-carboxylate; titanium(4+) Formula: C52H92O16Ti MolecularWeight: 1021.14428

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCCCCCCC(O1)C(=O)[O-].CCCOC1CCCCCCCC(O1)C(=O)[O-].CCCOC1CCCCCCCC(O1)C(=O)[O-].CCCOC1CCCCCCCC(O1)C(=O)[O-].[Ti+4]

Isomeric SMILES

CCCOC1CCCCCCCC(O1)C(=O)[O-].CCCOC1CCCCCCCC(O1)C(=O)[O-].CCCOC1CCCCCCCC(O1)C(=O)[O-].CCCOC1CCCCCCCC(O1)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C13H24O4.Ti/c4*1-2-10-16-12-9-7-5-3-4-6-8-11(17-12)13(14)15;/h4*11-12H,2-10H2,1H3,(H,14,15);/q;;;;+4/p-4