2-azanyl-4-(trioxidanylsulfanylmethylamino)-5-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(trioxidanylsulfanylmethylamino)-5-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 2-amino-4-(trioxidanylsulfanylmethylamino)-5-[4-(trioxidanylsulfanyl)phenyl]azo-benzenesulfonic acid CAS Name: 2-amino-4-[(trioxidanylthio)methylamino]-5-[4-(trioxidanylthio)phenyl]azobenzenesulfonic acid IUPAC Name: 2-amino-4-(trioxidanylsulfanylmethylamino)-5-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 2-amino-4-[(trioxidanylthio)methylamino]-5-[4-(trioxidanylthio)phenyl]azo-besylic acid Formula: C13H14N4O9S3 MolecularWeight: 466.46666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC(=C(C=C2NCSOOO)N)S(=O)(=O)O)SOOO

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2NCSOOO)N)S(=O)(=O)O)SOOO

InChI

InChI=1S/C13H14N4O9S3/c14-10-5-11(15-7-27-25-23-18)12(6-13(10)29(20,21)22)17-16-8-1-3-9(4-2-8)28-26-24-19/h1-6,15,18-19H,7,14H2,(H,20,21,22)