2-[3-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]ethanoate

Systemtic Name: 2-[3-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]ethanoate Openeye Name: 2-[3-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]acetate CAS Name: 2-[3-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]acetate IUPAC Name: 2-[3-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]acetate Traditional Name: 2-(3-methylol-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetate Formula: C12H13O5- MolecularWeight: 237.22862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C(O1)C=CC(=C2)CC(=O)[O-])CO

Isomeric SMILES

C1C(COC2=C(O1)C=CC(=C2)CC(=O)[O-])CO

InChI

InChI=1S/C12H14O5/c13-5-9-6-16-10-2-1-8(4-12(14)15)3-11(10)17-7-9/h1-3,9,13H,4-7H2,(H,14,15)/p-1