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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2,4,5-trimethoxybenzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic 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 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H21ClO7 MolecularWeight: 408.82954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)OC)OC

InChI

InChI=1S/C20H21ClO7/c1-23-15-10-17(25-3)16(24-2)9-13(15)20(22)28-11-12-7-14(21)19-18(8-12)26-5-4-6-27-19/h7-10H,4-6,11H2,1-3H3