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

Systemtic Name: 3-[(2-bromanyl-4-ethyl-phenoxy)methyl]benzoic acid Openeye Name: 3-[(2-bromo-4-ethyl-phenoxy)methyl]benzoic acid CAS Name: 3-[(2-bromo-4-ethylphenoxy)methyl]benzoic acid IUPAC Name: 3-[(2-bromo-4-ethylphenoxy)methyl]benzoic acid Traditional Name: 3-[(2-bromo-4-ethyl-phenoxy)methyl]benzoic acid Formula: C16H15BrO3 MolecularWeight: 335.1925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=CC=CC(=C2)C(=O)O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=CC=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C16H15BrO3/c1-2-11-6-7-15(14(17)9-11)20-10-12-4-3-5-13(8-12)16(18)19/h3-9H,2,10H2,1H3,(H,18,19)