calcium 2-methyl-2-oxidanyl-3-oxidanylidene-icosanoate

Systemtic Name: calcium 2-methyl-2-oxidanyl-3-oxidanylidene-icosanoate Openeye Name: calcium 2-hydroxy-2-methyl-3-oxo-icosanoate CAS Name: calcium 2-hydroxy-2-methyl-3-oxoeicosanoate IUPAC Name: calcium 2-hydroxy-2-methyl-3-oxoicosanoate Traditional Name: calcium 2-hydroxy-3-keto-2-methyl-arachidate Formula: C21H39CaO4+ MolecularWeight: 395.60996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40O4.Ca/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21(2,25)20(23)24;/h25H,3-18H2,1-2H3,(H,23,24);/q;+2/p-1