calcium 3-oxidanylnonanoate

Systemtic Name: calcium 3-oxidanylnonanoate Openeye Name: calcium 3-hydroxynonanoate CAS Name: calcium 3-hydroxynonanoate IUPAC Name: calcium 3-hydroxynonanoate Traditional Name: calcium 3-hydroxypelargonate Formula: C18H34CaO6 MolecularWeight: 386.53696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H18O3.Ca/c2*1-2-3-4-5-6-8(10)7-9(11)12;/h2*8,10H,2-7H2,1H3,(H,11,12);/q;;+2/p-2