basic_info |
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Product_Name: | 2-[2-[3-[2-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2-[(1-PHENYL-1H-TETRAZOL-5-YL)THIO]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM CHLORIDE |
CAS: | 440102-72-7 |
EnglishSynonyms: | 2-[2-[3-[2-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2-[(1-PHENYL-1H-TETRAZOL-5-YL)THIO]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM CHLORIDE |
pro_mdlNumber: | MFCD16620508 |
pro_acceptors: | 6 |
pro_donors: | 0 |
pro_smile: | CC1(c2ccccc2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(c5ccccc5N4C)(C)C)/CCC3)Sc6nnnn6c7ccccc7)C)C.[Cl-] |
InChi: | InChI=1S/C39H41N6S.ClH/c1-38(2)30-19-10-12-21-32(30)43(5)34(38)25-23-27-15-14-16-28(24-26-35-39(3,4)31-20-11-13-22-33(31)44(35)6)36(27)46-37-40-41-42-45(37)29-17-8-7-9-18-29;/h7-13,17-26H,14-16H2,1-6H3;1H/q+1;/p-1 |
InChiKey: | InChIKey=JTALMCTWCLULIB-UHFFFAOYSA-M |
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