sodium 2-(2-azanyl-4-chloranyl-phenoxy)-3,5-bis(chloranyl)benzenesulfonate

Systemtic Name: sodium 2-(2-azanyl-4-chloranyl-phenoxy)-3,5-bis(chloranyl)benzenesulfonate Openeye Name: sodium 2-(2-amino-4-chloro-phenoxy)-3,5-dichloro-benzenesulfonate CAS Name: sodium 2-(2-amino-4-chlorophenoxy)-3,5-dichlorobenzenesulfonate IUPAC Name: sodium 2-(2-amino-4-chlorophenoxy)-3,5-dichlorobenzenesulfonate Traditional Name: sodium 2-(2-amino-4-chloro-phenoxy)-3,5-dichloro-besylate Formula: C12H7Cl3NNaO4S MolecularWeight: 390.60205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N)OC2=C(C=C(C=C2S(=O)(=O)[O-])Cl)Cl.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)N)OC2=C(C=C(C=C2S(=O)(=O)[O-])Cl)Cl.[Na+]

InChI

InChI=1S/C12H8Cl3NO4S.Na/c13-6-1-2-10(9(16)4-6)20-12-8(15)3-7(14)5-11(12)21(17,18)19;/h1-5H,16H2,(H,17,18,19);/q;+1/p-1