(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H20Cl2O5 MolecularWeight: 411.2758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20Cl2O5/c1-20(2,27-15-6-4-14(21)5-7-15)19(23)26-12-13-10-16(22)18-17(11-13)24-8-3-9-25-18/h4-7,10-11H,3,8-9,12H2,1-2H3