calcium 2-methyl-2-oxidanyl-icosanoate

Systemtic Name: calcium 2-methyl-2-oxidanyl-icosanoate Openeye Name: calcium 2-hydroxy-2-methyl-icosanoate CAS Name: calcium 2-hydroxy-2-methyleicosanoate IUPAC Name: calcium 2-hydroxy-2-methylicosanoate Traditional Name: calcium 2-hydroxy-2-methyl-arachidate Formula: C42H82CaO6 MolecularWeight: 723.17488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H42O3.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2,24)20(22)23;/h2*24H,3-19H2,1-2H3,(H,22,23);/q;;+2/p-2