calcium 2-methyl-2-oxidanyl-octadecanoate

Systemtic Name: calcium 2-methyl-2-oxidanyl-octadecanoate Openeye Name: calcium 2-hydroxy-2-methyl-octadecanoate CAS Name: calcium 2-hydroxy-2-methyloctadecanoate IUPAC Name: calcium 2-hydroxy-2-methyloctadecanoate Traditional Name: calcium 2-hydroxy-2-methyl-stearate Formula: C38H74CaO6 MolecularWeight: 667.06856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H38O3.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,22)18(20)21;/h2*22H,3-17H2,1-2H3,(H,20,21);/q;;+2/p-2