3, 3'-BIS(2-CARBOXYETHYL)-5, 5'-DIMETHYL-9-ETHYLTHIACARBOCYANINE BETAINE

pro_cas
17636-08-7
pro_cdbregno
CCD00783509
pro_formula
C27 H28 N2 O4 S2
pro_molWeight
508.66

basic_info

Product_Name: 3, 3'-BIS(2-CARBOXYETHYL)-5, 5'-DIMETHYL-9-ETHYLTHIACARBOCYANINE BETAINE
CAS: 17636-08-7
EnglishSynonyms: 3, 3'-BIS(2-CARBOXYETHYL)-5, 5'-DIMETHYL-9-ETHYLTHIACARBOCYANINE BETAINE
pro_mdlNumber: MFCD09752910
pro_acceptors: 6
pro_donors: 1
pro_smile: CC/C(=C\c1[n+](c2cc(ccc2s1)C)CCC(=O)[O-])/C=C/3\N(c4cc(ccc4S3)C)CCC(=O)O
InChi: InChI=1S/C27H28N2O4S2/c1-4-19(15-24-28(11-9-26(30)31)20-13-17(2)5-7-22(20)34-24)16-25-29(12-10-27(32)33)21-14-18(3)6-8-23(21)35-25/h5-8,13-16H,4,9-12H2,1-3H3,(H-,30,31,32,33)
InChiKey: InChIKey=APDHWVFVXBKGIT-UHFFFAOYSA-N

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