3-oxidanylidene-4,4,4-tri(propan-2-yloxy)butanoate; titanium(2+)

Systemtic Name: 3-oxidanylidene-4,4,4-tri(propan-2-yloxy)butanoate; titanium(2+) Openeye Name: titanium(2+); 4,4,4-triisopropoxy-3-oxo-butanoate CAS Name: 3-oxo-4,4,4-tri(propan-2-yloxy)butanoate; titanium(2+) IUPAC Name: 3-oxo-4,4,4-tri(propan-2-yloxy)butanoate; titanium(2+) Traditional Name: titanium(2+); 4,4,4-triisopropoxy-3-keto-butyrate Formula: C26H46O12Ti MolecularWeight: 598.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C(=O)CC(=O)[O-])(OC(C)C)OC(C)C.CC(C)OC(C(=O)CC(=O)[O-])(OC(C)C)OC(C)C.[Ti+2]

Isomeric SMILES

CC(C)OC(C(=O)CC(=O)[O-])(OC(C)C)OC(C)C.CC(C)OC(C(=O)CC(=O)[O-])(OC(C)C)OC(C)C.[Ti+2]

InChI

InChI=1S/2C13H24O6.Ti/c2*1-8(2)17-13(18-9(3)4,19-10(5)6)11(14)7-12(15)16;/h2*8-10H,7H2,1-6H3,(H,15,16);/q;;+2/p-2