CELESTINE BLUE(1562-90-9) IR1
Molecular FormulaC17H18ClN3O4
Molecular Weight363.8
InChIInChI=1S/C17H17N3O4.ClH/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22;/h5-8H,3-4H2,1-2H3,(H3-,18,19,21,22,23);1H
InChIKey VXAFJUDTZSMEFN-UHFFFAOYSA-N
SmilesC12=NC3=C(C=C(N(CC)CC)C=C3)[O+]=C1C(O)=C(O)C=C2C(=O)N.[Cl-]