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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CO)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CO)C(=O)O

InChI

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