magnesium (2Z)-2-(2-oxidanyl-2-oxidanylidene-ethylidene)icosanoate

Systemtic Name: magnesium (2Z)-2-(2-oxidanyl-2-oxidanylidene-ethylidene)icosanoate Openeye Name: magnesium (2Z)-2-(2-hydroxy-2-oxo-ethylidene)icosanoate CAS Name: magnesium (2Z)-2-(2-hydroxy-2-oxoethylidene)eicosanoate IUPAC Name: magnesium (2Z)-2-(2-hydroxy-2-oxoethylidene)icosanoate Traditional Name: magnesium (Z)-4-hydroxy-4-keto-2-stearyl-but-2-enoate Formula: C44H78MgO8 MolecularWeight: 759.39032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H40O4.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24;/h2*19H,2-18H2,1H3,(H,23,24)(H,25,26);/q;;+2/p-2/b2*20-19-;