2,3,4,5,6-pentakis(chloranyl)phenolate; (phenylmethyl)azanium

Systemtic Name: 2,3,4,5,6-pentakis(chloranyl)phenolate; (phenylmethyl)azanium Openeye Name: benzylammonium; 2,3,4,5,6-pentachlorophenolate CAS Name: 2,3,4,5,6-pentachlorophenolate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 2,3,4,5,6-pentachlorophenolate Traditional Name: benzylammonium; 2,3,4,5,6-pentachlorophenolate Formula: C13H10Cl5NO MolecularWeight: 373.4896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH3+].C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH3+].C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

InChI

InChI=1S/C7H9N.C6HCl5O/c8-6-7-4-2-1-3-5-7;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5H,6,8H2;12H