8-propoxyoxocane-2-carboxylate; titanium(4+)

Systemtic Name: 8-propoxyoxocane-2-carboxylate; titanium(4+) Openeye Name: 8-propoxyoxocane-2-carboxylate; titanium(4+) CAS Name: 8-propoxy-2-oxocanecarboxylate; titanium(4+) IUPAC Name: 8-propoxyoxocane-2-carboxylate; titanium(4+) Traditional Name: 8-propoxyoxocane-2-carboxylate; titanium(4+) Formula: C44H76O16Ti MolecularWeight: 908.93164

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCCCCC(O1)C(=O)[O-].CCCOC1CCCCCC(O1)C(=O)[O-].CCCOC1CCCCCC(O1)C(=O)[O-].CCCOC1CCCCCC(O1)C(=O)[O-].[Ti+4]

Isomeric SMILES

CCCOC1CCCCCC(O1)C(=O)[O-].CCCOC1CCCCCC(O1)C(=O)[O-].CCCOC1CCCCCC(O1)C(=O)[O-].CCCOC1CCCCCC(O1)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C11H20O4.Ti/c4*1-2-8-14-10-7-5-3-4-6-9(15-10)11(12)13;/h4*9-10H,2-8H2,1H3,(H,12,13);/q;;;;+4/p-4