sodium 5-nitro-2-[2,4,6-tris(chloranyl)phenoxy]benzoate

Systemtic Name: sodium 5-nitro-2-[2,4,6-tris(chloranyl)phenoxy]benzoate Openeye Name: sodium 5-nitro-2-(2,4,6-trichlorophenoxy)benzoate CAS Name: sodium 5-nitro-2-(2,4,6-trichlorophenoxy)benzoate IUPAC Name: sodium 5-nitro-2-(2,4,6-trichlorophenoxy)benzoate Traditional Name: sodium 5-nitro-2-(2,4,6-trichlorophenoxy)benzoate Formula: C13H5Cl3NNaO5 MolecularWeight: 384.53127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])OC2=C(C=C(C=C2Cl)Cl)Cl.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])OC2=C(C=C(C=C2Cl)Cl)Cl.[Na+]

InChI

InChI=1S/C13H6Cl3NO5.Na/c14-6-3-9(15)12(10(16)4-6)22-11-2-1-7(17(20)21)5-8(11)13(18)19;/h1-5H,(H,18,19);/q;+1/p-1