5-(2-chloranylpropyl)-1,3-benzodioxole-2,2-dicarboxylate

Systemtic Name: 5-(2-chloranylpropyl)-1,3-benzodioxole-2,2-dicarboxylate Openeye Name: 5-(2-chloropropyl)-1,3-benzodioxole-2,2-dicarboxylate CAS Name: 5-(2-chloropropyl)-1,3-benzodioxole-2,2-dicarboxylate IUPAC Name: 5-(2-chloropropyl)-1,3-benzodioxole-2,2-dicarboxylate Traditional Name: 5-(2-chloropropyl)-1,3-benzodioxole-2,2-dicarboxylate Formula: C12H9ClO6-2 MolecularWeight: 284.64926

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])Cl

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])Cl

InChI

InChI=1S/C12H11ClO6/c1-6(13)4-7-2-3-8-9(5-7)19-12(18-8,10(14)15)11(16)17/h2-3,5-6H,4H2,1H3,(H,14,15)(H,16,17)/p-2