sodium; [[5-(3-azanyl-4-oxidanyl-phenyl)arsanylidenearsanyl-2-oxidanyl-phenyl]amino]methanesulfinate; benzoic acid

Systemtic Name: sodium; [[5-(3-azanyl-4-oxidanyl-phenyl)arsanylidenearsanyl-2-oxidanyl-phenyl]amino]methanesulfinate; benzoic acid Openeye Name: sodium; [5-(3-amino-4-hydroxy-phenyl)arsanylidenearsanyl-2-hydroxy-anilino]methanesulfinate; benzoic acid CAS Name: sodium; [5-(3-amino-4-hydroxyphenyl)arsinylidenearsinyl-2-hydroxyanilino]methanesulfinate; benzoic acid IUPAC Name: sodium; [5-(3-amino-4-hydroxyphenyl)arsanylidenearsanyl-2-hydroxyanilino]methanesulfinate; benzoic acid Traditional Name: sodium; [5-(3-amino-4-hydroxy-phenyl)arsinylidenearsinyl-2-hydroxy-anilino]methanesulfinate; benzoic acid Formula: C20H19As2N2NaO6S MolecularWeight: 588.27263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC(=C(C=C1[As]=[As]C2=CC(=C(C=C2)O)NCS(=O)[O-])N)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC(=C(C=C1[As]=[As]C2=CC(=C(C=C2)O)NCS(=O)[O-])N)O.[Na+]

InChI

InChI=1S/C13H14As2N2O4S.C7H6O2.Na/c16-10-5-8(1-3-12(10)18)14-15-9-2-4-13(19)11(6-9)17-7-22(20)21;8-7(9)6-4-2-1-3-5-6;/h1-6,17-19H,7,16H2,(H,20,21);1-5H,(H,8,9);/q;;+1/p-1