sodium 3,4,6-tris(chloranyl)-2-[[2,3,5-tris(chloranyl)-6-oxidanyl-phenyl]methyl]phenolate

Systemtic Name: sodium 3,4,6-tris(chloranyl)-2-[[2,3,5-tris(chloranyl)-6-oxidanyl-phenyl]methyl]phenolate Openeye Name: sodium 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxy-phenyl)methyl]phenolate CAS Name: sodium 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenolate IUPAC Name: sodium 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenolate Traditional Name: sodium 3,4,6-trichloro-2-(2,3,5-trichloro-6-hydroxy-benzyl)phenolate Formula: C13H5Cl6NaO2 MolecularWeight: 428.88537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)[O-])O)Cl.[Na+]

Isomeric SMILES

C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)[O-])O)Cl.[Na+]

InChI

InChI=1S/C13H6Cl6O2.Na/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;/h2-3,20-21H,1H2;/q;+1/p-1