TIMTEC-BB SBB059435

pro_cas
pro_cdbregno
CCD08195554
pro_formula
C39 H34 Cl2 N3 S2 . Cl O4
pro_molWeight
779.206

basic_info

Product_Name: TIMTEC-BB SBB059435
EnglishSynonyms: TIMTEC-BB SBB059435
pro_mdlNumber: MFCD05618289
pro_acceptors: 3
pro_donors: 0
pro_smile: CC[n+]1c2cc(ccc2sc1/C=C/C3=C(/C(=C/C=C\4/N(c5cc(ccc5S4)Cl)CC)/CC3)N(c6ccccc6)c7ccccc7)Cl.[O-]Cl(=O)(=O)=O
InChi: InChI=1S/C39H34Cl2N3S2.ClHO4/c1-3-42-33-25-29(40)19-21-35(33)45-37(42)23-17-27-15-16-28(18-24-38-43(4-2)34-26-30(41)20-22-36(34)46-38)39(27)44(31-11-7-5-8-12-31)32-13-9-6-10-14-32;2-1(3,4)5/h5-14,17-26H,3-4,15-16H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChiKey: InChIKey=UVLDECUUBLLYRG-UHFFFAOYSA-M

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