(2R,3R)-2-(3-bromanyl-4,5-dimethoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: (2R,3R)-2-(3-bromanyl-4,5-dimethoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(3-bromo-4,5-dimethoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(3-bromo-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(3-bromo-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(3-bromo-4,5-dimethoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C17H15BrO6 MolecularWeight: 395.2014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(OC3=CC=CC=C3O2)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)O)Br)OC

InChI

InChI=1S/C17H15BrO6/c1-21-13-8-9(7-10(18)15(13)22-2)14-16(17(19)20)24-12-6-4-3-5-11(12)23-14/h3-8,14,16H,1-2H3,(H,19,20)/t14-,16-/m1/s1