2-(3,4-dihydro-1,2-benzodioxin-8-ylmethyl)propanedioate

Systemtic Name: 2-(3,4-dihydro-1,2-benzodioxin-8-ylmethyl)propanedioate Openeye Name: 2-(3,4-dihydro-1,2-benzodioxin-8-ylmethyl)propanedioate CAS Name: 2-(3,4-dihydro-1,2-benzodioxin-8-ylmethyl)propanedioate IUPAC Name: 2-(3,4-dihydro-1,2-benzodioxin-8-ylmethyl)propanedioate Traditional Name: 2-(3,4-dihydro-1,2-benzodioxin-8-ylmethyl)malonate Formula: C12H10O6-2 MolecularWeight: 250.2042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COOC2=C1C=CC=C2CC(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COOC2=C1C=CC=C2CC(C(=O)[O-])C(=O)[O-]

InChI

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