calcium; 6-(5,5-dimethyl-6-oxidanyl-6-oxidanylidene-hexoxy)-2,2-dimethyl-hexanoic acid

Systemtic Name: calcium; 6-(5,5-dimethyl-6-oxidanyl-6-oxidanylidene-hexoxy)-2,2-dimethyl-hexanoic acid Openeye Name: calcium; 6-(6-hydroxy-5,5-dimethyl-6-oxo-hexoxy)-2,2-dimethyl-hexanoic acid CAS Name: calcium; 6-(6-hydroxy-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoic acid IUPAC Name: calcium; 6-(6-hydroxy-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoic acid Traditional Name: calcium; 6-(6-hydroxy-6-keto-5,5-dimethyl-hexoxy)-2,2-dimethyl-hexanoic acid Formula: C16H30CaO5 MolecularWeight: 342.4844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O.[Ca]

Isomeric SMILES

CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O.[Ca]

InChI

InChI=1S/C16H30O5.Ca/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);