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

Systemtic Name: (2R,3R)-2-(3-bromanyl-4-ethoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2R,3R)-2-(3-bromo-4-ethoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3R)-2-(3-bromo-4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2R,3R)-2-(3-bromo-4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3R)-2-(3-bromo-4-ethoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C17H14BrO5- MolecularWeight: 378.19406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(OC3=CC=CC=C3O2)C(=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)[O-])Br

InChI

InChI=1S/C17H15BrO5/c1-2-21-12-8-7-10(9-11(12)18)15-16(17(19)20)23-14-6-4-3-5-13(14)22-15/h3-9,15-16H,2H2,1H3,(H,19,20)/p-1/t15-,16-/m1/s1