91776-86-2
6-[(DIETHYLAMINO)SULFONYL]-4-((E)-3-[6-[(DIETHYLAMINO)SULFONYL]-1-ETHYL-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1-ETHYLQUINOLINIUM IODIDE
Name6-[(DIETHYLAMINO)SULFONYL]-4-((E)-3-[6-[(DIETHYLAMINO)SULFONYL]-1-ETHYL-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1-ETHYLQUINOLINIUM IODIDE
FormulaC33 H43 N4 O4 S2 . I
1Identification
【Name】
6-[(DIETHYLAMINO)SULFONYL]-4-((E)-3-[6-[(DIETHYLAMINO)SULFONYL]-1-ETHYL-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1-ETHYLQUINOLINIUM IODIDE
【CAS】
【MDL】
MFCD06409650
【English Synonyms】
【Formula】
C33 H43 N4 O4 S2 . I
【MolWeight】
750.759
【Inchi】
InChI=1S/C33H43N4O4S2.HI/c1-7-34-22-20-26(30-24-28(16-18-32(30)34)42(38,39)36(9-3)10-4)14-13-15-27-21-23-35(8-2)33-19-17-29(25-31(27)33)43(40,41)37(11-5)12-6;/h13-25H,7-12H2,1-6H3;1H/q+1;/p-1
【InChIKey】
InChIKey=FADOIAYMAICEPF-UHFFFAOYSA-M
【SMILES】
CC[n+]1ccc(c2c1ccc(c2)S(=O)(=O)N(CC)CC)/C=C/C=C/3\C=CN(c4c3cc(cc4)S(=O)(=O)N(CC)CC)CC.[I-]
【MOL File】
6-[(DIETHYLAMINO)SUL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-[(DIETHYLAMINO)SULFONYL]-4-((E)-3-[6-[(DIETHYLAMINO)SULFONYL]-1-ETHYL-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1-ETHYLQUINOLINIUM IODIDE.cml