4-butyl-2,2-diethyl-3-oxidanylidene-octanoate; titanium(4+)

Systemtic Name: 4-butyl-2,2-diethyl-3-oxidanylidene-octanoate; titanium(4+) Openeye Name: 4-butyl-2,2-diethyl-3-oxo-octanoate; titanium(4+) CAS Name: 4-butyl-2,2-diethyl-3-oxooctanoate; titanium(4+) IUPAC Name: 4-butyl-2,2-diethyl-3-oxooctanoate; titanium(4+) Traditional Name: 4-butyl-2,2-diethyl-3-keto-caprylate; titanium(4+) Formula: C64H116O12Ti MolecularWeight: 1125.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)[O-].CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)[O-].CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)[O-].CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)[O-].[Ti+4]

Isomeric SMILES

CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)[O-].CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)[O-].CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)[O-].CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C16H30O3.Ti/c4*1-5-9-11-13(12-10-6-2)14(17)16(7-3,8-4)15(18)19;/h4*13H,5-12H2,1-4H3,(H,18,19);/q;;;;+4/p-4