TITAN YELLOW(1829-00-1) IR1
Product NameTITAN YELLOW
CAS1829-00-1
Molecular FormulaC28H22N5NaO6S4
Molecular Weight675.74
InChIInChI=1S/C28H21N5O6S4.2Na/c1-15-3-13-21-23(25(15)42(34,35)36)40-27(29-21)17-5-9-19(10-6-17)31-33-32-20-11-7-18(8-12-20)28-30-22-14-4-16(2)26(24(22)41-28)43(37,38)39;;/h3-14H,1-2H3,(H,31,32)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2
InChIKey CZIRZNRQHFVCDZ-UHFFFAOYSA-L
SmilesC12SC(C3C=CC(N/N=N/C4=CC=C(C5=NC6C=CC(C)=C(S([O-])(=O)=O)C=6S5)C=C4)=CC=3)=NC=1C=CC(C)=C2S([O-])(=O)=O.[Na+].[Na+]
