sodium 4-acetyloxy-6-ethoxycarbonyl-2-(2-oxidanylpropyl)octanoate

Systemtic Name: sodium 4-acetyloxy-6-ethoxycarbonyl-2-(2-oxidanylpropyl)octanoate Openeye Name: sodium 4-acetoxy-6-ethoxycarbonyl-2-(2-hydroxypropyl)octanoate CAS Name: sodium 4-acetyloxy-6-ethoxycarbonyl-2-(2-hydroxypropyl)octanoate IUPAC Name: sodium 4-acetyloxy-6-ethoxycarbonyl-2-(2-hydroxypropyl)octanoate Traditional Name: sodium 4-acetoxy-6-carbethoxy-2-(2-hydroxypropyl)caprylate Formula: C16H27NaO7 MolecularWeight: 354.37115

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(CC(C)O)C(=O)[O-])OC(=O)C)C(=O)OCC.[Na+]

Isomeric SMILES

CCC(CC(CC(CC(C)O)C(=O)[O-])OC(=O)C)C(=O)OCC.[Na+]

InChI

InChI=1S/C16H28O7.Na/c1-5-12(16(21)22-6-2)8-14(23-11(4)18)9-13(15(19)20)7-10(3)17;/h10,12-14,17H,5-9H2,1-4H3,(H,19,20);/q;+1/p-1