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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-oxidanyl-hexanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-hexanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxyhexanoate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxyhexanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-hexanoate Formula: C13H15O5- MolecularWeight: 251.2552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5/c1-2-3-9(14)12(13(15)16)8-4-5-10-11(6-8)18-7-17-10/h4-6,9,12,14H,2-3,7H2,1H3,(H,15,16)/p-1