6-(4-cyanophenoxy)-3-oxidanyl-hexanoate

Systemtic Name: 6-(4-cyanophenoxy)-3-oxidanyl-hexanoate Openeye Name: 6-(4-cyanophenoxy)-3-hydroxy-hexanoate CAS Name: 6-(4-cyanophenoxy)-3-hydroxyhexanoate IUPAC Name: 6-(4-cyanophenoxy)-3-hydroxyhexanoate Traditional Name: 6-(4-cyanophenoxy)-3-hydroxy-hexanoate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCCC(CC(=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCCC(CC(=O)[O-])O

InChI

InChI=1S/C13H15NO4/c14-9-10-3-5-12(6-4-10)18-7-1-2-11(15)8-13(16)17/h3-6,11,15H,1-2,7-8H2,(H,16,17)/p-1