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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2,6-dimethoxybenzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic 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 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H19ClO6 MolecularWeight: 378.80356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H19ClO6/c1-22-14-5-3-6-15(23-2)17(14)19(21)26-11-12-9-13(20)18-16(10-12)24-7-4-8-25-18/h3,5-6,9-10H,4,7-8,11H2,1-2H3