LABOTEST-BB LT00453994_ChemCD

LABOTEST-BB LT00453994

basic_info
Product_Name：	LABOTEST-BB LT00453994
EnglishSynonyms：	LABOTEST-BB LT00453994
pro_mdlNumber：	MFCD00010498
pro_acceptors：	9
pro_donors：	3
pro_smile：	c1ccc(c(c1)/C=N/c2cc(cc3c2c(cc(c3)S(=O)(=O)O)O)S(=O)(=O)[O-])O.[Na+]
InChi：	InChI=1S/C17H13NO8S2.Na/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14;/h1-9,19-20H,(H,21,22,23)(H,24,25,26);/q;+1/p-1/b18-9+;
InChiKey：	InChIKey=VDMRMECRCLGIAD-WUBZALIBSA-M

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