2,3,4,5,6-pentakis(chloranyl)phenol; 3-(prop-2-enylamino)propanenitrile

Systemtic Name: 2,3,4,5,6-pentakis(chloranyl)phenol; 3-(prop-2-enylamino)propanenitrile Openeye Name: 3-(allylamino)propanenitrile; 2,3,4,5,6-pentachlorophenol CAS Name: 2,3,4,5,6-pentachlorophenol; 3-(prop-2-enylamino)propanenitrile IUPAC Name: 2,3,4,5,6-pentachlorophenol; 3-(prop-2-enylamino)propanenitrile Traditional Name: 3-(allylamino)propionitrile; 2,3,4,5,6-pentachlorophenol Formula: C12H11Cl5N2O MolecularWeight: 376.49354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6HCl5O.C6H10N2/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2-5-8-6-3-4-7/h12H;2,8H,1,3,5-6H2