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

Systemtic Name: 1,18-dibutoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) Openeye Name: 1,18-dibutoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) CAS Name: 1,18-dibutoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) IUPAC Name: 1,18-dibutoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) Traditional Name: 1,18-dibutoxy-10-oxabicyclo[9.7.0]octadecane-11-carboxylate; titanium(4+) Formula: C104H188O20Ti MolecularWeight: 1806.46052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCC)C(=O)[O-].[Ti+4]

Isomeric SMILES

CCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCC)C(=O)[O-].CCCCOC1CCCCCCC2(C1(CCCCCCCCO2)OCCCC)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C26H48O5.Ti/c4*1-3-5-20-29-23-17-13-9-11-15-19-26(24(27)28)25(23,30-21-6-4-2)18-14-10-7-8-12-16-22-31-26;/h4*23H,3-22H2,1-2H3,(H,27,28);/q;;;;+4/p-4