basic_info |
|
Product_Name: | OTAVA-FLUOR OTVD_0369 |
EnglishSynonyms: | OTAVA-FLUOR OTVD_0369 |
pro_mdlNumber: | MFCD10001322 |
pro_acceptors: | 8 |
pro_donors: | 0 |
pro_smile: | c1ccc2c(c1)[n+](c(s2)/C=C/C=C\3/N(c4ccccc4S3)CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-].[Na+] |
InChi: | InChI=1S/C25H28N2O6S4.Na/c28-36(29,30)18-7-5-16-26-20-10-1-3-12-22(20)34-24(26)14-9-15-25-27(17-6-8-19-37(31,32)33)21-11-2-4-13-23(21)35-25;/h1-4,9-15H,5-8,16-19H2,(H-,28,29,30,31,32,33);/q;+1/p-1 |
InChiKey: | InChIKey=XPTHDLWFCARCAR-UHFFFAOYSA-M |
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