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

Systemtic Name: calcium 6-(5,5-dimethyl-6-oxidanidyl-6-oxidanylidene-hexoxy)-2,2-dimethyl-hexanoate hydrate Openeye Name: calcium 6-(5,5-dimethyl-6-oxido-6-oxo-hexoxy)-2,2-dimethyl-hexanoate hydrate CAS Name: calcium 6-(5,5-dimethyl-6-oxido-6-oxohexoxy)-2,2-dimethylhexanoate hydrate IUPAC Name: calcium 6-(5,5-dimethyl-6-oxido-6-oxohexoxy)-2,2-dimethylhexanoate hydrate Traditional Name: calcium 6-(6-keto-5,5-dimethyl-6-oxido-hexoxy)-2,2-dimethyl-hexanoate hydrate Formula: C16H30CaO6 MolecularWeight: 358.4838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O5.Ca.H2O/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20;;/h5-12H2,1-4H3,(H,17,18)(H,19,20);;1H2/q;+2;/p-2