Acid Black 1(1064-48-8) IR2
Product NameAcid Black 1
CAS1064-48-8
Molecular FormulaC22H17N6NaO9S2
Molecular Weight596.52
InChIInChI=1S/C22H16N6O9S2.2Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,29H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b26-25+,27-24+;;
InChIKey AOMZHDJXSYHPKS-DROYEMJCSA-L
SmilesC12C(O)=C(C(S([O-])(=O)=O)=CC1=CC(S([O-])(=O)=O)=C(/N=N/C1C=CC([N+]([O-])=O)=CC=1)C=2N)/N=N/C1C=CC=CC=1.[Na+].[Na+]
