4-bromanyl-3,5-dimethoxy-2-(2-methoxy-6-methoxycarbonyl-phenyl)benzoic acid

Systemtic Name: 4-bromanyl-3,5-dimethoxy-2-(2-methoxy-6-methoxycarbonyl-phenyl)benzoic acid Openeye Name: 4-bromo-3,5-dimethoxy-2-(2-methoxy-6-methoxycarbonyl-phenyl)benzoic acid CAS Name: 4-bromo-3,5-dimethoxy-2-(2-methoxy-6-methoxycarbonylphenyl)benzoic acid IUPAC Name: 4-bromo-3,5-dimethoxy-2-(2-methoxy-6-methoxycarbonylphenyl)benzoic acid Traditional Name: 4-bromo-2-(2-carbomethoxy-6-methoxy-phenyl)-3,5-dimethoxy-benzoic acid Formula: C18H17BrO7 MolecularWeight: 425.22738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C2=C(C(=C(C=C2C(=O)O)OC)Br)OC)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1C2=C(C(=C(C=C2C(=O)O)OC)Br)OC)C(=O)OC

InChI

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