3-(1,3-benzodioxol-5-yl)pentanedioic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)pentanedioic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)pentanedioic acid CAS Name: 3-(1,3-benzodioxol-5-yl)pentanedioic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)pentanedioic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)glutaric acid Formula: C12H12O6 MolecularWeight: 252.22008

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)