3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; 2-(4-chloranyl-2-methyl-phenoxy)ethanoic acid

Systemtic Name: 3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; 2-(4-chloranyl-2-methyl-phenoxy)ethanoic acid Openeye Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid; 3,5-dibromo-4-hydroxy-benzonitrile CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid; 3,5-dibromo-4-hydroxybenzonitrile IUPAC Name: 2-(4-chloro-2-methylphenoxy)acetic acid; 3,5-dibromo-4-hydroxybenzonitrile Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid; 3,5-dibromo-4-hydroxy-benzonitrile Formula: C16H12Br2ClNO4 MolecularWeight: 477.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)O.C1=C(C=C(C(=C1Br)O)Br)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)O.C1=C(C=C(C(=C1Br)O)Br)C#N

InChI

InChI=1S/C9H9ClO3.C7H3Br2NO/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;8-5-1-4(3-10)2-6(9)7(5)11/h2-4H,5H2,1H3,(H,11,12);1-2,11H