3-(1,3-benzodioxol-5-yl)pentanedioate

Systemtic Name: 3-(1,3-benzodioxol-5-yl)pentanedioate Openeye Name: 3-(1,3-benzodioxol-5-yl)pentanedioate CAS Name: 3-(1,3-benzodioxol-5-yl)pentanedioate IUPAC Name: 3-(1,3-benzodioxol-5-yl)pentanedioate Traditional Name: 3-(1,3-benzodioxol-5-yl)glutarate Formula: C12H10O6-2 MolecularWeight: 250.2042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C12H12O6/c13-11(14)4-8(5-12(15)16)7-1-2-9-10(3-7)18-6-17-9/h1-3,8H,4-6H2,(H,13,14)(H,15,16)/p-2