calcium 2-oxidanyl-4-oxidanylidene-henicosanoate

Systemtic Name: calcium 2-oxidanyl-4-oxidanylidene-henicosanoate Openeye Name: calcium 2-hydroxy-4-oxo-henicosanoate CAS Name: calcium 2-hydroxy-4-oxoheneicosanoate IUPAC Name: calcium 2-hydroxy-4-oxohenicosanoate Traditional Name: calcium 2-hydroxy-4-keto-heneicosanoate Formula: C42H78CaO8 MolecularWeight: 751.14192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H40O4.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)18-20(23)21(24)25;/h2*20,23H,2-18H2,1H3,(H,24,25);/q;;+2/p-2