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

Systemtic Name: butanoic acid; 2,4,5-tris(chloranyl)-6-oxidanyl-benzene-1,3-dicarbonitrile Openeye Name: butyric acid; 2,4,5-trichloro-6-hydroxy-benzene-1,3-dicarbonitrile CAS Name: butanoic acid; 2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile IUPAC Name: butanoic acid; 2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile Traditional Name: butyric acid; 2,4,5-trichloro-6-hydroxy-isophthalonitrile Formula: C12H9Cl3N2O3 MolecularWeight: 335.57046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O

Isomeric SMILES

CCCC(=O)O.C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O

InChI

InChI=1S/C8HCl3N2O.C4H8O2/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13;1-2-3-4(5)6/h14H;2-3H2,1H3,(H,5,6)