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

Systemtic Name: 3-[(4-bromanyl-3-methyl-phenoxy)methyl]benzoic acid Openeye Name: 3-[(4-bromo-3-methyl-phenoxy)methyl]benzoic acid CAS Name: 3-[(4-bromo-3-methylphenoxy)methyl]benzoic acid IUPAC Name: 3-[(4-bromo-3-methylphenoxy)methyl]benzoic acid Traditional Name: 3-[(4-bromo-3-methyl-phenoxy)methyl]benzoic acid Formula: C15H13BrO3 MolecularWeight: 321.16592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C15H13BrO3/c1-10-7-13(5-6-14(10)16)19-9-11-3-2-4-12(8-11)15(17)18/h2-8H,9H2,1H3,(H,17,18)