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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2,5-dimethoxybenzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2,5-dimethoxybenzoate CAS Name: 2,5-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 2,5-dimethoxybenzoate Traditional Name: 2,5-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=CC(=C(C=C1)OC)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClO6/c1-22-13-4-5-16(23-2)14(10-13)19(21)26-11-12-8-15(20)18-17(9-12)24-6-3-7-25-18/h4-5,8-10H,3,6-7,11H2,1-2H3