3,3-dibutoxy-2-methoxy-2-methyl-propanoate; titanium(4+)

Systemtic Name: 3,3-dibutoxy-2-methoxy-2-methyl-propanoate; titanium(4+) Openeye Name: 3,3-dibutoxy-2-methoxy-2-methyl-propanoate; titanium(4+) CAS Name: 3,3-dibutoxy-2-methoxy-2-methylpropanoate; titanium(4+) IUPAC Name: 3,3-dibutoxy-2-methoxy-2-methylpropanoate; titanium(4+) Traditional Name: 3,3-dibutoxy-2-methoxy-2-methyl-propionate; titanium(4+) Formula: C52H100O20Ti MolecularWeight: 1093.2054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C(C)(C(=O)[O-])OC)OCCCC.CCCCOC(C(C)(C(=O)[O-])OC)OCCCC.CCCCOC(C(C)(C(=O)[O-])OC)OCCCC.CCCCOC(C(C)(C(=O)[O-])OC)OCCCC.[Ti+4]

Isomeric SMILES

CCCCOC(C(C)(C(=O)[O-])OC)OCCCC.CCCCOC(C(C)(C(=O)[O-])OC)OCCCC.CCCCOC(C(C)(C(=O)[O-])OC)OCCCC.CCCCOC(C(C)(C(=O)[O-])OC)OCCCC.[Ti+4]

InChI

InChI=1S/4C13H26O5.Ti/c4*1-5-7-9-17-12(18-10-8-6-2)13(3,16-4)11(14)15;/h4*12H,5-10H2,1-4H3,(H,14,15);/q;;;;+4/p-4