(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,4,5-trimethoxybenzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,4,5-trimethoxybenzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H19ClO7 MolecularWeight: 394.80296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)OC)OC

InChI

InChI=1S/C19H19ClO7/c1-22-14-9-16(24-3)15(23-2)8-12(14)19(21)27-10-11-6-13(20)18-17(7-11)25-4-5-26-18/h6-9H,4-5,10H2,1-3H3