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

Systemtic Name: 3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; 2-[2,4-bis(chloranyl)phenoxy]propanoic acid; 3,5-bis(iodanyl)-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; 2-(2,4-dichlorophenoxy)propanoic acid; 4-hydroxy-3,5-diiodo-benzonitrile CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid; 3,5-dibromo-4-hydroxybenzonitrile; 2-(2,4-dichlorophenoxy)propanoic acid; 4-hydroxy-3,5-diiodobenzonitrile IUPAC Name: 2-(4-chloro-2-methylphenoxy)acetic acid; 3,5-dibromo-4-hydroxybenzonitrile; 2-(2,4-dichlorophenoxy)propanoic acid; 4-hydroxy-3,5-diiodobenzonitrile Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid; 3,5-dibromo-4-hydroxy-benzonitrile; 2-(2,4-dichlorophenoxy)propionic acid; 4-hydroxy-3,5-diiodo-benzonitrile Formula: C32H23Br2Cl3I2N2O8 MolecularWeight: 1083.50956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)O.CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl.C1=C(C=C(C(=C1Br)O)Br)C#N.C1=C(C=C(C(=C1I)O)I)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)O.CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl.C1=C(C=C(C(=C1Br)O)Br)C#N.C1=C(C=C(C(=C1I)O)I)C#N

InChI

InChI=1S/C9H8Cl2O3.C9H9ClO3.C7H3Br2NO.C7H3I2NO/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;1-6-4-7(10)2-3-8(6)13-5-9(11)12;2*8-5-1-4(3-10)2-6(9)7(5)11/h2-5H,1H3,(H,12,13);2-4H,5H2,1H3,(H,11,12);2*1-2,11H