4-[[2,6-bis(oxidanylidene)-5,9-dihydropurin-8-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[2,6-bis(oxidanylidene)-5,9-dihydropurin-8-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[(2,6-dioxo-5,9-dihydropurin-8-yl)azo]benzenesulfonic acid CAS Name: 4-[(2,6-dioxo-5,9-dihydropurin-8-yl)azo]benzenesulfonic acid IUPAC Name: 4-[(2,6-dioxo-5,9-dihydropurin-8-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-[(2,6-diketo-5,9-dihydropurin-8-yl)azo]besylic acid Formula: C11H8N6O5S MolecularWeight: 336.28342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N6O5S/c18-9-7-8(14-11(19)15-9)13-10(12-7)17-16-5-1-3-6(4-2-5)23(20,21)22/h1-4,7H,(H,20,21,22)(H2,12,13,14,15,18,19)