3-[[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-bromo-4-(hydroxymethyl)-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[(2-bromo-6-methoxy-4-methylol-phenoxy)methyl]benzoic acid Formula: C16H15BrO5 MolecularWeight: 367.1913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CO)Br)OCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CO)Br)OCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H15BrO5/c1-21-14-7-11(8-18)6-13(17)15(14)22-9-10-3-2-4-12(5-10)16(19)20/h2-7,18H,8-9H2,1H3,(H,19,20)