disodium 2-azanyloxysulfonyl-5-phenyldiazenyl-benzenesulfonate

Systemtic Name: disodium 2-azanyloxysulfonyl-5-phenyldiazenyl-benzenesulfonate Openeye Name: disodium 2-aminooxysulfonyl-5-phenylazo-benzenesulfonate CAS Name: disodium 2-aminooxysulfonyl-5-phenyldiazenylbenzenesulfonate IUPAC Name: disodium 2-aminooxysulfonyl-5-phenyldiazenylbenzenesulfonate Traditional Name: disodium 2-aminooxysulfonyl-5-phenylazo-besylate Formula: C24H20N6Na2O12S4 MolecularWeight: 758.68814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)S(=O)(=O)ON)S(=O)(=O)[O-].C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)S(=O)(=O)ON)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)S(=O)(=O)ON)S(=O)(=O)[O-].C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)S(=O)(=O)ON)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C12H11N3O6S2.2Na/c2*13-21-23(19,20)11-7-6-10(8-12(11)22(16,17)18)15-14-9-4-2-1-3-5-9;;/h2*1-8H,13H2,(H,16,17,18);;/q;;2*+1/p-2