4-methyl-3,3,4-tri(propan-2-yloxy)oxetane-2-carboxylate; titanium(4+)

Systemtic Name: 4-methyl-3,3,4-tri(propan-2-yloxy)oxetane-2-carboxylate; titanium(4+) Openeye Name: titanium(4+); 3,3,4-triisopropoxy-4-methyl-oxetane-2-carboxylate CAS Name: 4-methyl-3,3,4-tri(propan-2-yloxy)-2-oxetanecarboxylate; titanium(4+) IUPAC Name: 4-methyl-3,3,4-tri(propan-2-yloxy)oxetane-2-carboxylate; titanium(4+) Traditional Name: titanium(4+); 3,3,4-triisopropoxy-4-methyl-oxetane-2-carboxylate Formula: C56H100O24Ti MolecularWeight: 1205.2458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1(C(C(O1)C(=O)[O-])(OC(C)C)OC(C)C)C.CC(C)OC1(C(C(O1)C(=O)[O-])(OC(C)C)OC(C)C)C.CC(C)OC1(C(C(O1)C(=O)[O-])(OC(C)C)OC(C)C)C.CC(C)OC1(C(C(O1)C(=O)[O-])(OC(C)C)OC(C)C)C.[Ti+4]

Isomeric SMILES

CC(C)OC1(C(C(O1)C(=O)[O-])(OC(C)C)OC(C)C)C.CC(C)OC1(C(C(O1)C(=O)[O-])(OC(C)C)OC(C)C)C.CC(C)OC1(C(C(O1)C(=O)[O-])(OC(C)C)OC(C)C)C.CC(C)OC1(C(C(O1)C(=O)[O-])(OC(C)C)OC(C)C)C.[Ti+4]

InChI

InChI=1S/4C14H26O6.Ti/c4*1-8(2)17-13(7)14(18-9(3)4,19-10(5)6)11(20-13)12(15)16;/h4*8-11H,1-7H3,(H,15,16);/q;;;;+4/p-4