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Reference substances

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IUPAC name:
Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride

Inventory

CAS number:
78181-99-4

Synonyms

Molecular and structural information

Molecular formula:
C35H46ClN5O4
Molecular weight:
636.22
SMILES notation:
C(CCOC(\C(=C\c1ccc(cc1)N(CC)CC)C#N)=O)[N+](C)(C)CCOC(\C(=C\c1ccc(cc1)N(CC)CC)C#N)=O.[ClH-]
InChl:
1S/C35H46N5O4.ClH/c1-7-38(8-2)32-16-12-28(13-17-32)24-30(26-36)34(41)43-22-11-20-40(5,6)21-23-44-35(42)31(27-37)25-29-14-18-33(19-15-29)39(9-3)10-4;/h12-19,24-25H,7-11,20-23H2,1-6H3;1H/q+1;/p-1/b30-24+,31-25+;
Structural formula:
Chemical structure

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