2-[[2,6-bis(oxidanylidene)-3H-purin-9-yl]sulfonyl]benzoic acid

Systemtic Name: 2-[[2,6-bis(oxidanylidene)-3H-purin-9-yl]sulfonyl]benzoic acid Openeye Name: 2-[(2,6-dioxo-3H-purin-9-yl)sulfonyl]benzoic acid CAS Name: 2-[(2,6-dioxo-3H-purin-9-yl)sulfonyl]benzoic acid IUPAC Name: 2-[(2,6-dioxo-3H-purin-9-yl)sulfonyl]benzoic acid Traditional Name: 2-[(2,6-diketo-3H-purin-9-yl)sulfonyl]benzoic acid Formula: C12H8N4O6S MolecularWeight: 336.28012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N2C=NC3=C2NC(=O)NC3=O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N2C=NC3=C2NC(=O)NC3=O

InChI

InChI=1S/C12H8N4O6S/c17-10-8-9(14-12(20)15-10)16(5-13-8)23(21,22)7-4-2-1-3-6(7)11(18)19/h1-5H,(H,18,19)(H2,14,15,17,20)