2-(1,3-benzodioxol-5-yl)-3-oxidanyl-octanoate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-oxidanyl-octanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-octanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxyoctanoate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxyoctanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-caprylate Formula: C15H19O5- MolecularWeight: 279.30836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C1=CC2=C(C=C1)OCO2)C(=O)[O-])O

Isomeric SMILES

CCCCCC(C(C1=CC2=C(C=C1)OCO2)C(=O)[O-])O

InChI

InChI=1S/C15H20O5/c1-2-3-4-5-11(16)14(15(17)18)10-6-7-12-13(8-10)20-9-19-12/h6-8,11,14,16H,2-5,9H2,1H3,(H,17,18)/p-1