4-methylpentanoic acid; 2,4,5-tris(chloranyl)-6-oxidanyl-benzene-1,3-dicarbonitrile

Systemtic Name: 4-methylpentanoic acid; 2,4,5-tris(chloranyl)-6-oxidanyl-benzene-1,3-dicarbonitrile Openeye Name: 4-methylpentanoic acid; 2,4,5-trichloro-6-hydroxy-benzene-1,3-dicarbonitrile CAS Name: 4-methylpentanoic acid; 2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile IUPAC Name: 4-methylpentanoic acid; 2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile Traditional Name: 4-methylvaleric acid; 2,4,5-trichloro-6-hydroxy-isophthalonitrile Formula: C14H13Cl3N2O3 MolecularWeight: 363.62362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)O.C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O

Isomeric SMILES

CC(C)CCC(=O)O.C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O

InChI

InChI=1S/C8HCl3N2O.C6H12O2/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13;1-5(2)3-4-6(7)8/h14H;5H,3-4H2,1-2H3,(H,7,8)