sodium 5-chloranyl-2-(4-chloranyl-2-nitro-phenoxy)benzenesulfonate

Systemtic Name: sodium 5-chloranyl-2-(4-chloranyl-2-nitro-phenoxy)benzenesulfonate Openeye Name: sodium 5-chloro-2-(4-chloro-2-nitro-phenoxy)benzenesulfonate CAS Name: sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonate IUPAC Name: sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonate Traditional Name: sodium 5-chloro-2-(4-chloro-2-nitro-phenoxy)besylate Formula: C12H6Cl2NNaO6S MolecularWeight: 386.13991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H7Cl2NO6S.Na/c13-7-1-3-10(9(5-7)15(16)17)21-11-4-2-8(14)6-12(11)22(18,19)20;/h1-6H,(H,18,19,20);/q;+1/p-1