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2-[(2-oxidanidyl-6-oxidanylidene-3H-purin-9-yl)sulfonyl]benzoate

2-[(2-oxidanidyl-6-oxidanylidene-3H-purin-9-yl)sulfonyl]benzoate

Systemtic Name:2-[(2-oxidanidyl-6-oxidanylidene-3H-purin-9-yl)sulfonyl]benzoate
Openeye Name:2-[(2-oxido-6-oxo-3H-purin-9-yl)sulfonyl]benzoate
CAS Name:2-[(2-oxido-6-oxo-3H-purin-9-yl)sulfonyl]benzoate
IUPAC Name:2-[(2-oxido-6-oxo-3H-purin-9-yl)sulfonyl]benzoate
Traditional Name:2-[(6-keto-2-oxido-3H-purin-9-yl)sulfonyl]benzoate
Formula: C12H6N4O6S-2
MolecularWeight: 334.26424
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])S(=O)(=O)N2C=NC3=C2NC(=NC3=O)[O-]


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])S(=O)(=O)N2C=NC3=C2NC(=NC3=O)[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)/p-2


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