sodium 3-(hydroxymethyl)-2-methyl-2-oxidanyl-nonadecanoate

Systemtic Name: sodium 3-(hydroxymethyl)-2-methyl-2-oxidanyl-nonadecanoate Openeye Name: sodium 2-hydroxy-3-(hydroxymethyl)-2-methyl-nonadecanoate CAS Name: sodium 2-hydroxy-3-(hydroxymethyl)-2-methylnonadecanoate IUPAC Name: sodium 2-hydroxy-3-(hydroxymethyl)-2-methylnonadecanoate Traditional Name: sodium 2-hydroxy-2-methyl-3-methylol-nonadecanoate Formula: C21H41NaO4 MolecularWeight: 380.53761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CO)C(C)(C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CO)C(C)(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C21H42O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18-22)21(2,25)20(23)24;/h19,22,25H,3-18H2,1-2H3,(H,23,24);/q;+1/p-1