(2R,3R)-2-(5-bromanyl-2-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2R,3R)-2-(5-bromanyl-2-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2R,3R)-2-(5-bromo-2-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3R)-2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2R,3R)-2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3R)-2-(5-bromo-2-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C16H12BrO5- MolecularWeight: 364.16748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2C(OC3=CC=CC=C3O2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrO5/c1-20-11-7-6-9(17)8-10(11)14-15(16(18)19)22-13-5-3-2-4-12(13)21-14/h2-8,14-15H,1H3,(H,18,19)/p-1/t14-,15-/m1/s1