5-bromanyl-6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole-4-carboxylic acid

Systemtic Name: 5-bromanyl-6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole-4-carboxylic acid Openeye Name: 5-bromo-6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole-4-carboxylic acid CAS Name: 5-bromo-6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole-4-carboxylic acid IUPAC Name: 5-bromo-6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole-4-carboxylic acid Traditional Name: 5-bromo-6-(3,4,5-trimethoxybenzyl)-1,3-benzodioxole-4-carboxylic acid Formula: C18H17BrO7 MolecularWeight: 425.22738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CC3=C(C(=C2Br)C(=O)O)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CC3=C(C(=C2Br)C(=O)O)OCO3

InChI

InChI=1S/C18H17BrO7/c1-22-11-5-9(6-12(23-2)16(11)24-3)4-10-7-13-17(26-8-25-13)14(15(10)19)18(20)21/h5-7H,4,8H2,1-3H3,(H,20,21)