2-ethylhexan-1-ol; 3-oxidanylidenehexanoate; titanium

Systemtic Name: 2-ethylhexan-1-ol; 3-oxidanylidenehexanoate; titanium Openeye Name: 2-ethylhexan-1-ol; 3-oxohexanoate; titanium CAS Name: 2-ethyl-1-hexanol; 3-oxohexanoate; titanium IUPAC Name: 2-ethylhexan-1-ol; 3-oxohexanoate; titanium Traditional Name: 2-ethylhexan-1-ol; 3-ketohexanoate; titanium Formula: C28H54O8Ti-2 MolecularWeight: 566.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CO.CCCCC(CC)CO.CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].[Ti]

Isomeric SMILES

CCCCC(CC)CO.CCCCC(CC)CO.CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].[Ti]

InChI

InChI=1S/2C8H18O.2C6H10O3.Ti/c2*1-3-5-6-8(4-2)7-9;2*1-2-3-5(7)4-6(8)9;/h2*8-9H,3-7H2,1-2H3;2*2-4H2,1H3,(H,8,9);/p-2