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

Systemtic Name: 3-bromanyl-5-ethoxy-4-(oxan-2-ylmethoxy)benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-(tetrahydropyran-2-ylmethoxy)benzoic acid CAS Name: 3-bromo-5-ethoxy-4-(2-oxanylmethoxy)benzoic acid IUPAC Name: 3-bromo-5-ethoxy-4-(oxan-2-ylmethoxy)benzoic acid Traditional Name: 3-bromo-5-ethoxy-4-(tetrahydropyran-2-ylmethoxy)benzoic acid Formula: C15H19BrO5 MolecularWeight: 359.21236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2CCCCO2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2CCCCO2

InChI

InChI=1S/C15H19BrO5/c1-2-19-13-8-10(15(17)18)7-12(16)14(13)21-9-11-5-3-4-6-20-11/h7-8,11H,2-6,9H2,1H3,(H,17,18)