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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzoate Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzoate IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzoate Formula: C16H13O4- MolecularWeight: 269.27202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)[O-])OC1

InChI

InChI=1S/C16H14O4/c17-16(18)12-4-2-11(3-5-12)13-6-7-14-15(10-13)20-9-1-8-19-14/h2-7,10H,1,8-9H2,(H,17,18)/p-1