10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+)

Systemtic Name: 10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) Openeye Name: 10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) CAS Name: 10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) IUPAC Name: 10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) Traditional Name: 10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) Formula: C72H124O12Ti MolecularWeight: 1229.61476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCOC2(CCCCCCCC2CCC1)C(=O)[O-].C1CCCCOC2(CCCCCCCC2CCC1)C(=O)[O-].C1CCCCOC2(CCCCCCCC2CCC1)C(=O)[O-].C1CCCCOC2(CCCCCCCC2CCC1)C(=O)[O-].[Ti+4]

Isomeric SMILES

C1CCCCOC2(CCCCCCCC2CCC1)C(=O)[O-].C1CCCCOC2(CCCCCCCC2CCC1)C(=O)[O-].C1CCCCOC2(CCCCCCCC2CCC1)C(=O)[O-].C1CCCCOC2(CCCCCCCC2CCC1)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C18H32O3.Ti/c4*19-17(20)18-14-10-6-3-5-9-13-16(18)12-8-4-1-2-7-11-15-21-18;/h4*16H,1-15H2,(H,19,20);/q;;;;+4/p-4