sodium 2,18-dimethyl-2-oxidanyl-3-oxidanylidene-nonadecanoate

Systemtic Name: sodium 2,18-dimethyl-2-oxidanyl-3-oxidanylidene-nonadecanoate Openeye Name: sodium 2-hydroxy-2,18-dimethyl-3-oxo-nonadecanoate CAS Name: sodium 2-hydroxy-2,18-dimethyl-3-oxononadecanoate IUPAC Name: sodium 2-hydroxy-2,18-dimethyl-3-oxononadecanoate Traditional Name: sodium 2-hydroxy-3-keto-2,18-dimethyl-nonadecanoate Formula: C21H39NaO4 MolecularWeight: 378.52173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)C(C)(C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)C(C)(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C21H40O4.Na/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(22)21(3,25)20(23)24;/h18,25H,4-17H2,1-3H3,(H,23,24);/q;+1/p-1