PONCEAU 3R(3564-09-8) IR1
Product NamePONCEAU 3R
CAS3564-09-8
Molecular FormulaC19H19N2NaO7S2
Molecular Weight474.48
InChIInChI=1S/C19H18N2O7S2.2Na/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b21-20+;;
InChIKey SWPPXVFKWWEYSV-SERMZQFOSA-L
SmilesC12C=CC(S([O-])(=O)=O)=CC1=CC(S([O-])(=O)=O)=C(O)C=2/N=N/C1=CC(=C(C)C=C1C)C.[Na+].[Na+]
