2-[[3-[[4-phenylazanyl-5-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]sulfamoyl]ethyl hydrogen sulfate

Systemtic Name: 2-[[3-[[4-phenylazanyl-5-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]sulfamoyl]ethyl hydrogen sulfate Openeye Name: 2-[[3-[[4-anilino-5-(trioxidanylsulfanyl)-1-naphthyl]azo]phenyl]sulfamoyl]ethyl hydrogen sulfate CAS Name: 8-anilino-5-[3-(2-sulfooxyethylsulfonylamino)phenyl]azo-1-naphthalenesulfenic acid hydroperoxy ester IUPAC Name: 2-[[3-[[4-anilino-5-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]phenyl]sulfamoyl]ethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[[3-[[4-anilino-5-(trioxidanylthio)-1-naphthyl]azo]phenyl]sulfamoyl]ethyl ester Formula: C24H22N4O9S3 MolecularWeight: 606.64788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC(=CC=C4)NS(=O)(=O)CCOS(=O)(=O)O)C=CC=C3SOOO

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC(=CC=C4)NS(=O)(=O)CCOS(=O)(=O)O)C=CC=C3SOOO

InChI

InChI=1S/C24H22N4O9S3/c29-36-37-38-23-11-5-10-20-21(12-13-22(24(20)23)25-17-6-2-1-3-7-17)27-26-18-8-4-9-19(16-18)28-39(30,31)15-14-35-40(32,33)34/h1-13,16,25,28-29H,14-15H2,(H,32,33,34)