(2S)-2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid Traditional Name: (2S)-2-piperonylsuccinic 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)CC(CC(=O)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C12H12O6/c13-11(14)5-8(12(15)16)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4,8H,3,5-6H2,(H,13,14)(H,15,16)/t8-/m0/s1