1,18-dioctoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+)

Systemtic Name: 1,18-dioctoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) Openeye Name: 1,18-dioctoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) CAS Name: 1,18-dioctoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) IUPAC Name: 1,18-dioctoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) Traditional Name: 1,18-dioctoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) Formula: C136H252O20Ti MolecularWeight: 2255.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCCCCCC)C(=O)[O-].CCCCCCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCCCCCC)C(=O)[O-].CCCCCCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCCCCCC)C(=O)[O-].CCCCCCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCCCCCC)C(=O)[O-].[Ti+4]

Isomeric SMILES

CCCCCCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCCCCCC)C(=O)[O-].CCCCCCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCCCCCC)C(=O)[O-].CCCCCCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCCCCCC)C(=O)[O-].CCCCCCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCCCCCC)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C34H64O5.Ti/c4*1-3-5-7-9-16-22-28-37-31-25-19-13-15-21-27-34(32(35)36)33(31,38-29-23-17-10-8-6-4-2)26-20-14-11-12-18-24-30-39-34;/h4*31H,3-30H2,1-2H3,(H,35,36);/q;;;;+4/p-4