4-[(6-azanyl-5H-purin-8-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 4-[(6-azanyl-5H-purin-8-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-[(6-amino-5H-purin-8-yl)azo]benzenesulfonic acid CAS Name: 4-[(6-amino-5H-purin-8-yl)azo]benzenesulfonic acid IUPAC Name: 4-[(6-amino-5H-purin-8-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-[(6-amino-5H-purin-8-yl)azo]besylic acid Formula: C11H9N7O3S MolecularWeight: 319.29926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=NC3C(=NC=NC3=N2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=NC3C(=NC=NC3=N2)N)S(=O)(=O)O

InChI

InChI=1S/C11H9N7O3S/c12-9-8-10(14-5-13-9)16-11(15-8)18-17-6-1-3-7(4-2-6)22(19,20)21/h1-5,8H,(H,19,20,21)(H2,12,13,14,15,16)