sodium 2,4-dimethyl-2,4-bis(oxidanyl)-3,5-bis(oxidanylidene)docosanoate

Systemtic Name: sodium 2,4-dimethyl-2,4-bis(oxidanyl)-3,5-bis(oxidanylidene)docosanoate Openeye Name: sodium 2,4-dihydroxy-2,4-dimethyl-3,5-dioxo-docosanoate CAS Name: sodium 2,4-dihydroxy-2,4-dimethyl-3,5-dioxodocosanoate IUPAC Name: sodium 2,4-dihydroxy-2,4-dimethyl-3,5-dioxodocosanoate Traditional Name: sodium 2,4-dihydroxy-3,5-diketo-2,4-dimethyl-behenate Formula: C24H43NaO6 MolecularWeight: 450.58439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C)(C(=O)C(C)(C(=O)[O-])O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C)(C(=O)C(C)(C(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C24H44O6.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)23(2,29)21(26)24(3,30)22(27)28;/h29-30H,4-19H2,1-3H3,(H,27,28);/q;+1/p-1