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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-3-oxidanyl-hexanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-5-methyl-hexanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-5-methylhexanoate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-5-methylhexanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-5-methyl-hexanoate Formula: C14H17O5- MolecularWeight: 265.28178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O5/c1-8(2)5-10(15)13(14(16)17)9-3-4-11-12(6-9)19-7-18-11/h3-4,6,8,10,13,15H,5,7H2,1-2H3,(H,16,17)/p-1