sodium; 2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)ethanoate; hexadecan-1-amine

Systemtic Name: sodium; 2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)ethanoate; hexadecan-1-amine Openeye Name: sodium; 2-(5-ethoxy-2-phenyl-oxazol-4-yl)acetate; hexadecan-1-amine CAS Name: sodium; 2-(5-ethoxy-2-phenyl-4-oxazolyl)acetate; 1-hexadecanamine IUPAC Name: sodium; 2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)acetate; hexadecan-1-amine Traditional Name: sodium; cetylamine; 2-(5-ethoxy-2-phenyl-oxazol-4-yl)acetate Formula: C29H47N2NaO4 MolecularWeight: 510.68425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN.CCOC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCN.CCOC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)[O-].[Na+]

InChI

InChI=1S/C16H35N.C13H13NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-17-13-10(8-11(15)16)14-12(18-13)9-6-4-3-5-7-9;/h2-17H2,1H3;3-7H,2,8H2,1H3,(H,15,16);/q;;+1/p-1