[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 4-fluorosulfonylbenzoate

Systemtic Name: [3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 4-fluorosulfonylbenzoate Openeye Name: [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate CAS Name: 4-fluorosulfonylbenzoic acid [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl 4-fluorosulfonylbenzoate Traditional Name: 4-fluorosulfonylbenzoic acid [3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C17H15FN4O8S MolecularWeight: 454.386403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=O)O)O)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=O)O)O)S(=O)(=O)F

InChI

InChI=1S/C17H15FN4O8S/c18-31(27,28)9-3-1-8(2-4-9)17(26)29-5-10-12(23)13(24)16(30-10)22-7-21-11-14(22)19-6-20-15(11)25/h1-4,6-7,10,12-13,16,23-24H,5H2,(H,19,20,25)