titanium(4+); 2,4,4-tributoxy-2-ethyl-3-oxidanylidene-butanoate

Systemtic Name: titanium(4+); 2,4,4-tributoxy-2-ethyl-3-oxidanylidene-butanoate Openeye Name: titanium(4+); 2,4,4-tributoxy-2-ethyl-3-oxo-butanoate CAS Name: titanium(4+); 2,4,4-tributoxy-2-ethyl-3-oxobutanoate IUPAC Name: titanium(4+); 2,4,4-tributoxy-2-ethyl-3-oxobutanoate Traditional Name: titanium(4+); 2,4,4-tributoxy-2-ethyl-3-keto-butyrate Formula: C72H132O24Ti MolecularWeight: 1429.67108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C18H34O6.Ti/c4*1-5-9-12-22-16(23-13-10-6-2)15(19)18(8-4,17(20)21)24-14-11-7-3;/h4*16H,5-14H2,1-4H3,(H,20,21);/q;;;;+4/p-4