氢氧化2-[2-[3-(羧甲基)-5-甲基-2(3H)-苯并噻唑亚基甲基]-1-丁烯基]-3-乙基-5-甲基苯并噻唑鎓内盐

pro_cas
52749-17-4
pro_cdbregno
CCD00091482
pro_formula
C25 H26 N2 O2 S2
pro_molWeight
450.624

basic_info

Product_Name: 氢氧化2-[2-[3-(羧甲基)-5-甲基-2(3H)-苯并噻唑亚基甲基]-1-丁烯基]-3-乙基-5-甲基苯并噻唑鎓内盐
CAS: 52749-17-4
中文同义词: 氢氧化2-[2-[3-(羧甲基)-5-甲基-2(3H)-苯并噻唑亚基甲基]-1-丁烯基]-3-乙基-5-甲基苯并噻唑鎓内盐
EnglishSynonyms: 2-(2-(3-(CARBOXYMETHYL)-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENEMETHYL)-1-BUTENYL)-3-ETHYL-5-METHYLBENZOTHIAZOLIUM HYDROXIDE, INNER SALT ; 3-CARBOXYMETHYL-3',9-DIETHYL-5,5'-DIMETHYLTHIACARBOCYANINE BETAINE
pro_mdlNumber: MFCD00191900
pro_acceptors: 4
pro_donors: 0
pro_smile: CC/C(=C\c1[n+](c2cc(ccc2s1)C)CC)/C=C\3/N(c4cc(ccc4S3)C)CC(=O)[O-]
InChi: InChI=1S/C25H26N2O2S2/c1-5-18(13-23-26(6-2)19-11-16(3)7-9-21(19)30-23)14-24-27(15-25(28)29)20-12-17(4)8-10-22(20)31-24/h7-14H,5-6,15H2,1-4H3
InChiKey: InChIKey=FRMNAFRWMAEMRV-UHFFFAOYSA-N

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