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

Systemtic Name: 3-[[2-bromanyl-4-(hydroxymethyl)phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-bromo-4-(hydroxymethyl)phenoxy]methyl]benzoic acid CAS Name: 3-[[2-bromo-4-(hydroxymethyl)phenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-bromo-4-(hydroxymethyl)phenoxy]methyl]benzoic acid Traditional Name: 3-[(2-bromo-4-methylol-phenoxy)methyl]benzoic acid Formula: C15H13BrO4 MolecularWeight: 337.16532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)CO)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)CO)Br)C(=O)O

InChI

InChI=1S/C15H13BrO4/c16-13-7-10(8-17)4-5-14(13)20-9-11-2-1-3-12(6-11)15(18)19/h1-7,17H,8-9H2,(H,18,19)