[2,6-bis(oxidanylidene)-3,7-dihydropurin-1-yl] benzenesulfonate

Systemtic Name: [2,6-bis(oxidanylidene)-3,7-dihydropurin-1-yl] benzenesulfonate Openeye Name: (2,6-dioxo-3,7-dihydropurin-1-yl) benzenesulfonate CAS Name: benzenesulfonic acid (2,6-dioxo-3,7-dihydropurin-1-yl) ester IUPAC Name: (2,6-dioxo-3,7-dihydropurin-1-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (2,6-diketo-3,7-dihydropurin-1-yl) ester Formula: C11H8N4O5S MolecularWeight: 308.27002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(NC2=O)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(NC2=O)N=CN3

InChI

InChI=1S/C11H8N4O5S/c16-10-8-9(13-6-12-8)14-11(17)15(10)20-21(18,19)7-4-2-1-3-5-7/h1-6H,(H,12,13)(H,14,17)