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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-oxidanyl-heptanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-heptanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxyheptanoate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxyheptanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-enanthate Formula: C14H17O5- MolecularWeight: 265.28178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O5/c1-2-3-4-10(15)13(14(16)17)9-5-6-11-12(7-9)19-8-18-11/h5-7,10,13,15H,2-4,8H2,1H3,(H,16,17)/p-1