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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClO7/c1-23-15-6-5-13(17(24-2)19(15)25-3)20(22)28-11-12-9-14(21)18-16(10-12)26-7-4-8-27-18/h5-6,9-10H,4,7-8,11H2,1-3H3