RHODANILE BLUE(14969-56-3) IR1
Product NameRHODANILE BLUE
CAS14969-56-3
Molecular FormulaC48H50ClN5O3
Molecular Weight780.4
InChIInChI=1S/C48H49N5O3.ClH/c1-7-51(8-2)31-21-24-38-42(27-31)55-43-28-32(52(9-3)10-4)22-25-39(43)46(38)35-18-14-16-20-37(35)48(54)50-41-30-45-47(36-19-15-13-17-34(36)41)49-40-26-23-33(29-44(40)56-45)53(11-5)12-6;/h13-29H,7-12,30H2,1-6H3;1H/b50-41+;
InChIKey GBYXMWRXCOWOPW-HAIIBULWSA-N
SmilesC1(C2=CC=CC=C2C(=O)/N=C2\CC3=C(NC4C=CC(N(CC)CC)=CC=4O3)C3C=CC=CC\2=3)=C2C=C/C(=[N+](/CC)\CC)/C=C2OC2C=C(N(CC)CC)C=CC1=2.[Cl-]
