basic_info |
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| Product_Name: | 4-[4-[(2-METHOXY-5-METHYL-4-[[2-(SULFOOXY)ETHYL]SULFONYL]PHENYL)DIAZENYL]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID |
| CAS: | 60958-41-0 |
| EnglishSynonyms: | P-[4,5-DIHYDRO-4-[[2-METHOXY-5-METHYL-4-[[2-(SULPHOOXY)ETHYL]SULPHONYL]PHENYL]AZO]-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONIC ACID ; 4-[4-[(2-METHOXY-5-METHYL-4-[[2-(SULFOOXY)ETHYL]SULFONYL]PHENYL)DIAZENYL]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID |
| pro_mdlNumber: | MFCD23142771 |
| pro_acceptors: | 15 |
| pro_donors: | 2 |
| pro_smile: | Cc1cc(c(cc1S(=O)(=O)CCOS(=O)(=O)O)OC)/N=N/C2C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)O)C |
| InChi: | InChI=1S/C20H22N4O11S3/c1-12-10-16(17(34-3)11-18(12)36(26,27)9-8-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(28,29)30/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33)/b22-21+ |
| InChiKey: | InChIKey=ZLLJOZOHXNAJLK-QURGRASLSA-N |
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