1H-苯并咪唑-2-乙醇,b-氨基-

287182-34-7

MFCD03093276

C39 H39 Cl N2 . 2 C7 H7 O3 S

913.595

InChI=1S/C39H39ClN2.2C7H8O3S/c1-25-33(41(3,4)35-23-17-27-11-7-9-13-31(27)37(25)35)21-19-29-15-16-30(39(29)40)20-22-34-26(2)38-32-14-10-8-12-28(32)18-24-36(38)42(34,5)6;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-14,17-25H,15-16H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2/b22-20+,29-19+,33-21+;;

InChIKey=HJCCHBXTOOFWNB-MCRLBXMXSA-L

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].CC\1c2c3ccccc3ccc2[N+](/C1=C/C=C/4\CCC(=C4Cl)/C=C/C5=C(c6c7ccccc7ccc6[N+]5(C)C)C)(C)C

pro_donors:0

pro_acceptors:2

XLogP3:0.0

Bulk/Fine:F