(7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) ethanoate

Systemtic Name: (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) ethanoate Openeye Name: (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) acetate CAS Name: acetic acid (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) ester IUPAC Name: (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) acetate Traditional Name: acetic acid (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) ester Formula: C12H14O4 MolecularWeight: 222.23716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(CO2)OC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(CO2)OC(=O)C

InChI

InChI=1S/C12H14O4/c1-8-3-4-11-12(5-8)15-7-10(6-14-11)16-9(2)13/h3-5,10H,6-7H2,1-2H3