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

Systemtic Name: (2R,3R)-2-(5-bromanyl-2-propoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(5-bromo-2-propoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(5-bromo-2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(5-bromo-2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(5-bromo-2-propoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C18H17BrO5 MolecularWeight: 393.22858

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C2C(OC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C18H17BrO5/c1-2-9-22-13-8-7-11(19)10-12(13)16-17(18(20)21)24-15-6-4-3-5-14(15)23-16/h3-8,10,16-17H,2,9H2,1H3,(H,20,21)/t16-,17-/m1/s1