(2E)-5-oxidanyl-2-(phenoxymethylidene)hexanoate

Systemtic Name: (2E)-5-oxidanyl-2-(phenoxymethylidene)hexanoate Openeye Name: (2E)-5-hydroxy-2-(phenoxymethylene)hexanoate CAS Name: (2E)-5-hydroxy-2-(phenoxymethylidene)hexanoate IUPAC Name: (2E)-5-hydroxy-2-(phenoxymethylidene)hexanoate Traditional Name: (E)-2-(3-hydroxybutyl)-3-phenoxy-acrylate Formula: C13H15O4- MolecularWeight: 235.2558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=COC1=CC=CC=C1)C(=O)[O-])O

Isomeric SMILES

CC(CC/C(=C\OC1=CC=CC=C1)/C(=O)[O-])O

InChI

InChI=1S/C13H16O4/c1-10(14)7-8-11(13(15)16)9-17-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3,(H,15,16)/p-1/b11-9+