2-(2-cyanophenoxy)-3-oxidanyl-hexanoate

Systemtic Name: 2-(2-cyanophenoxy)-3-oxidanyl-hexanoate Openeye Name: 2-(2-cyanophenoxy)-3-hydroxy-hexanoate CAS Name: 2-(2-cyanophenoxy)-3-hydroxyhexanoate IUPAC Name: 2-(2-cyanophenoxy)-3-hydroxyhexanoate Traditional Name: 2-(2-cyanophenoxy)-3-hydroxy-hexanoate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)[O-])OC1=CC=CC=C1C#N)O

Isomeric SMILES

CCCC(C(C(=O)[O-])OC1=CC=CC=C1C#N)O

InChI

InChI=1S/C13H15NO4/c1-2-5-10(15)12(13(16)17)18-11-7-4-3-6-9(11)8-14/h3-4,6-7,10,12,15H,2,5H2,1H3,(H,16,17)/p-1