N,N-DIETHYL-1-ETHANAMINIUM 2-(2-(3-[3-(2-SULFONATOETHYL)-1,3-BENZOTHIAZOL-3-IUM-2-YL]-2-CYCLOPENTEN-1-YLIDENE)-1,3-BENZOTHIAZOL-3-YL)-1-ETHANESULFONATE

pro_cas
pro_cdbregno
CCD00541102
pro_formula
C23 H22 N2 O6 S4 . C6 H15 N
pro_molWeight
651.89

basic_info

Product_Name: N,N-DIETHYL-1-ETHANAMINIUM 2-(2-(3-[3-(2-SULFONATOETHYL)-1,3-BENZOTHIAZOL-3-IUM-2-YL]-2-CYCLOPENTEN-1-YLIDENE)-1,3-BENZOTHIAZOL-3-YL)-1-ETHANESULFONATE
EnglishSynonyms: N,N-DIETHYL-1-ETHANAMINIUM 2-(2-(3-[3-(2-SULFONATOETHYL)-1,3-BENZOTHIAZOL-3-IUM-2-YL]-2-CYCLOPENTEN-1-YLIDENE)-1,3-BENZOTHIAZOL-3-YL)-1-ETHANESULFONATE
pro_mdlNumber: MFCD06409707
pro_acceptors: 8
pro_donors: 1
pro_smile: CCN(CC)CC.c1ccc2c(c1)[n+](c(s2)C3=C/C(=C/4\N(c5ccccc5S4)CCS(=O)(=O)O)/CC3)CCS(=O)(=O)[O-]
InChi: InChI=1S/C23H22N2O6S4.C6H15N/c26-34(27,28)13-11-24-18-5-1-3-7-20(18)32-22(24)16-9-10-17(15-16)23-25(12-14-35(29,30)31)19-6-2-4-8-21(19)33-23;1-4-7(5-2)6-3/h1-8,15H,9-14H2,(H-,26,27,28,29,30,31);4-6H2,1-3H3
InChiKey: InChIKey=RRNCUBLLPOWXLD-UHFFFAOYSA-N

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