METHYL ORANGE-XYLENE CYANOL FF

pro_cas
pro_cdbregno
CCD00091209
pro_formula
C25 H27 N2 O7 S2 . C14 H14 N3 O3 S . 2 Na
pro_molWeight
881.956

basic_info

Product_Name: METHYL ORANGE-XYLENE CYANOL FF
EnglishSynonyms: METHYL ORANGE-XYLENE CYANOL FF ; XYLENE CYANOL FF-METHYL ORANGE
pro_mdlNumber: MFCD00191596
pro_acceptors: 9
pro_donors: 3
pro_smile: CCNc1ccc(cc1C)/C(=C\2/C=C/C(=N/CC)/C(=C2)C)/c3cc(c(cc3S(=O)(=O)O)S(=O)(=O)[O-])O.CN(C)c1ccc(cc1)/N=N/c2ccc(cc2)S(=O)(=O)[O-].[Na+].[Na+]
InChi: InChI=1S/C25H28N2O7S2.C14H15N3O3S.2Na/c1-5-26-20-9-7-17(11-15(20)3)25(18-8-10-21(27-6-2)16(4)12-18)19-13-22(28)24(36(32,33)34)14-23(19)35(29,30)31;1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;;/h7-14,26,28H,5-6H2,1-4H3,(H,29,30,31)(H,32,33,34);3-10H,1-2H3,(H,18,19,20);;/q;;2*+1/p-2/b25-18+,27-21-;16-15+;;
InChiKey: InChIKey=DLSJBPNVZNTATN-WLNNVXECSA-L

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