PONTACYL VIOLET 6R(5850-63-5) IR1
Product NamePONTACYL VIOLET 6R
CAS5850-63-5
Molecular FormulaC20H12N2Na2O8S2
Molecular Weight518.43
InChIInChI=1S/C20H14N2O8S2.2Na/c23-16-10-13(31(25,26)27)8-12-9-17(32(28,29)30)19(20(24)18(12)16)22-21-15-7-3-5-11-4-1-2-6-14(11)15;;/h1-10,23-24H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b22-21+;;
InChIKey UKAUHDJTJXBRST-ZPZFBZIMSA-L
SmilesC12C(O)=CC(S([O-])(=O)=O)=CC1=CC(S([O-])(=O)=O)=C(/N=N/C1C=CC=C3C=CC=CC=13)C=2O.[Na+].[Na+]
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Spectral Code: IR : KBr disc
