Mordant Blue 13(1058-92-0) IR1
Product NameMordant Blue 13
CAS1058-92-0
Molecular FormulaC16H12ClN2NaO9S2
Molecular Weight498.84
InChIInChI=1S/C16H11ClN2O9S2.2Na/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22;;/h1-6,20-22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b19-18+;;
InChIKey LNXMADNIUWFTPP-BUFQOAPZSA-L
SmilesC12C=C(C=C(O)C1=C(O)C(/N=N/C1C=C(C=CC=1O)Cl)=C(S([O-])(=O)=O)C=2)S([O-])(=O)=O.[Na+].[Na+]
