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

Systemtic Name: 4-[[2,6-bis(oxidanylidene)-5,9-dihydropurin-8-yl]diazenyl]benzoic acid Openeye Name: 4-[(2,6-dioxo-5,9-dihydropurin-8-yl)azo]benzoic acid CAS Name: 4-[(2,6-dioxo-5,9-dihydropurin-8-yl)azo]benzoic acid IUPAC Name: 4-[(2,6-dioxo-5,9-dihydropurin-8-yl)diazenyl]benzoic acid Traditional Name: 4-[(2,6-diketo-5,9-dihydropurin-8-yl)azo]benzoic acid Formula: C12H8N6O4 MolecularWeight: 300.22972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N=NC2=NC3C(=NC(=O)NC3=O)N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N=NC2=NC3C(=NC(=O)NC3=O)N2

InChI

InChI=1S/C12H8N6O4/c19-9-7-8(15-12(22)16-9)14-11(13-7)18-17-6-3-1-5(2-4-6)10(20)21/h1-4,7H,(H,20,21)(H2,13,14,15,16,19,22)