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

Systemtic Name: titanium(4+); 2,2,4-tributoxy-3-oxidanylidene-butanoate Openeye Name: titanium(4+); 2,2,4-tributoxy-3-oxo-butanoate CAS Name: titanium(4+); 2,2,4-tributoxy-3-oxobutanoate IUPAC Name: titanium(4+); 2,2,4-tributoxy-3-oxobutanoate Traditional Name: titanium(4+); 2,2,4-tributoxy-3-keto-butyrate Formula: C64H116O24Ti MolecularWeight: 1317.45844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C16H30O6.Ti/c4*1-4-7-10-20-13-14(17)16(15(18)19,21-11-8-5-2)22-12-9-6-3;/h4*4-13H2,1-3H3,(H,18,19);/q;;;;+4/p-4