2-(1,3-benzodioxol-5-yl)-4-ethyl-3-oxidanyl-hexanoate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-ethyl-3-oxidanyl-hexanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxy-hexanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxyhexanoate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxyhexanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxy-hexanoate Formula: C15H19O5- MolecularWeight: 279.30836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C(C1=CC2=C(C=C1)OCO2)C(=O)[O-])O

Isomeric SMILES

CCC(CC)C(C(C1=CC2=C(C=C1)OCO2)C(=O)[O-])O

InChI

InChI=1S/C15H20O5/c1-3-9(4-2)14(16)13(15(17)18)10-5-6-11-12(7-10)20-8-19-11/h5-7,9,13-14,16H,3-4,8H2,1-2H3,(H,17,18)/p-1