1,14-dibutoxy-8-oxabicyclo[7.5.0]tetradecane-9-carboxylate; titanium(4+)

Systemtic Name: 1,14-dibutoxy-8-oxabicyclo[7.5.0]tetradecane-9-carboxylate; titanium(4+) Openeye Name: 1,14-dibutoxy-8-oxabicyclo[7.5.0]tetradecane-9-carboxylate; titanium(4+) CAS Name: 1,14-dibutoxy-8-oxabicyclo[7.5.0]tetradecane-9-carboxylate; titanium(4+) IUPAC Name: 1,14-dibutoxy-8-oxabicyclo[7.5.0]tetradecane-9-carboxylate; titanium(4+) Traditional Name: 1,14-dibutoxy-8-oxabicyclo[7.5.0]tetradecane-9-carboxylate; titanium(4+) Formula: C88H156O20Ti MolecularWeight: 1582.03524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CCCCC2(C1(CCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCC2(C1(CCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCC2(C1(CCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCC2(C1(CCCCCCO2)OCCCC)C(=O)[O-].[Ti+4]

Isomeric SMILES

CCCCOC1CCCCC2(C1(CCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCC2(C1(CCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCC2(C1(CCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCC2(C1(CCCCCCO2)OCCCC)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C22H40O5.Ti/c4*1-3-5-16-25-19-13-9-11-15-22(20(23)24)21(19,26-17-6-4-2)14-10-7-8-12-18-27-22;/h4*19H,3-18H2,1-2H3,(H,23,24);/q;;;;+4/p-4