3-bromanyl-5-methoxy-4-(oxan-2-ylmethoxy)benzoic acid

Systemtic Name: 3-bromanyl-5-methoxy-4-(oxan-2-ylmethoxy)benzoic acid Openeye Name: 3-bromo-5-methoxy-4-(tetrahydropyran-2-ylmethoxy)benzoic acid CAS Name: 3-bromo-5-methoxy-4-(2-oxanylmethoxy)benzoic acid IUPAC Name: 3-bromo-5-methoxy-4-(oxan-2-ylmethoxy)benzoic acid Traditional Name: 3-bromo-5-methoxy-4-(tetrahydropyran-2-ylmethoxy)benzoic acid Formula: C14H17BrO5 MolecularWeight: 345.18578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC2CCCCO2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC2CCCCO2

InChI

InChI=1S/C14H17BrO5/c1-18-12-7-9(14(16)17)6-11(15)13(12)20-8-10-4-2-3-5-19-10/h6-7,10H,2-5,8H2,1H3,(H,16,17)