sodium 2-(2,4-dimethylphenoxy)-3-[ethyl(oxidanyl)amino]-5-oxidanyl-hexanoate

Systemtic Name: sodium 2-(2,4-dimethylphenoxy)-3-[ethyl(oxidanyl)amino]-5-oxidanyl-hexanoate Openeye Name: sodium 2-(2,4-dimethylphenoxy)-3-[ethyl(hydroxy)amino]-5-hydroxy-hexanoate CAS Name: sodium 2-(2,4-dimethylphenoxy)-3-[ethyl(hydroxy)amino]-5-hydroxyhexanoate IUPAC Name: sodium 2-(2,4-dimethylphenoxy)-3-[ethyl(hydroxy)amino]-5-hydroxyhexanoate Traditional Name: sodium 2-(2,4-dimethylphenoxy)-3-[ethyl(hydroxy)amino]-5-hydroxy-hexanoate Formula: C16H24NNaO5 MolecularWeight: 333.35523

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CC(C)O)C(C(=O)[O-])OC1=C(C=C(C=C1)C)C)O.[Na+]

Isomeric SMILES

CCN(C(CC(C)O)C(C(=O)[O-])OC1=C(C=C(C=C1)C)C)O.[Na+]

InChI

InChI=1S/C16H25NO5.Na/c1-5-17(21)13(9-12(4)18)15(16(19)20)22-14-7-6-10(2)8-11(14)3;/h6-8,12-13,15,18,21H,5,9H2,1-4H3,(H,19,20);/q;+1/p-1