calcium; 6-(5,5-dimethyl-6-oxidanidyl-6-oxidanylidene-hexoxy)-2,2-dimethyl-hexanoate; ethanol

Systemtic Name: calcium; 6-(5,5-dimethyl-6-oxidanidyl-6-oxidanylidene-hexoxy)-2,2-dimethyl-hexanoate; ethanol Openeye Name: calcium; 6-(5,5-dimethyl-6-oxido-6-oxo-hexoxy)-2,2-dimethyl-hexanoate; ethanol CAS Name: calcium; 6-(5,5-dimethyl-6-oxido-6-oxohexoxy)-2,2-dimethylhexanoate; ethanol IUPAC Name: calcium; 6-(5,5-dimethyl-6-oxido-6-oxohexoxy)-2,2-dimethylhexanoate; ethanol Traditional Name: calcium; ethanol; 6-(6-keto-5,5-dimethyl-6-oxido-hexoxy)-2,2-dimethyl-hexanoate Formula: C18H34CaO6 MolecularWeight: 386.53696

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(C)(CCCCOCCCCC(C)(C)C(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

CCO.CC(C)(CCCCOCCCCC(C)(C)C(=O)[O-])C(=O)[O-].[Ca+2]

InChI

InChI=1S/C16H30O5.C2H6O.Ca/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20;1-2-3;/h5-12H2,1-4H3,(H,17,18)(H,19,20);3H,2H2,1H3;/q;;+2/p-2