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GAJ

Summary
Name:N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2 SULPHONAMIDE
Synonyms:N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE
Formula:C14 H9 N5 O4 S
Formal charge:0
Formula weight:343.317 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(1,4-dihydro-5H-tetrazol-5-ylidene)-9-oxo-9H-xanthene-2-sulfonamide
OpenEye OEToolkits1.5.0N-(1,4-dihydro-1,2,3,4-tetrazol-5-ylidene)-9-oxo-xanthene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(/N=C1/NN=NN1)c3cc2C(=O)c4c(Oc2cc3)cccc4
SMILES_CANONICALCACTVS3.341O=C1c2ccccc2Oc3ccc(cc13)[S](=O)(=O)N=C4NN=NN4
SMILESCACTVS3.341O=C1c2ccccc2Oc3ccc(cc13)[S](=O)(=O)N=C4NN=NN4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4
InChIInChI1.03InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
InChIKeyInChI1.03HJWYZPGYPZNDTN-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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