sodium; hexadecanoic acid; 2-methyl-2-oxidanyl-3-oxidanylidene-icosanoate

Systemtic Name: sodium; hexadecanoic acid; 2-methyl-2-oxidanyl-3-oxidanylidene-icosanoate Openeye Name: sodium; 2-hydroxy-2-methyl-3-oxo-icosanoate; palmitic acid CAS Name: sodium; hexadecanoic acid; 2-hydroxy-2-methyl-3-oxoeicosanoate IUPAC Name: sodium; hexadecanoic acid; 2-hydroxy-2-methyl-3-oxoicosanoate Traditional Name: sodium; 2-hydroxy-3-keto-2-methyl-arachidate; palmitic acid Formula: C37H71NaO6 MolecularWeight: 634.94581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40O4.C16H32O2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21(2,25)20(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h25H,3-18H2,1-2H3,(H,23,24);2-15H2,1H3,(H,17,18);/q;;+1/p-1