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Potassium indigotrisulfonate(67627-18-3) IR1
Product NamePotassium indigotrisulfonate
CAS67627-18-3
Molecular FormulaC16H7K3N2O11S3
Molecular Weight616.72
InChIInChI=1S/C16H10N2O11S3.3K/c19-15-8-3-6(30(21,22)23)1-2-10(8)17-13(15)14-16(20)9-4-7(31(24,25)26)5-11(12(9)18-14)32(27,28)29;;;/h1-5,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b14-13+;;;
InChIKey XOSMXDUITYWYGR-VPOCKCTCSA-K
SmilesC12N/C(=C3/NC4C=CC(S([O-])(=O)=O)=CC=4C/3=O)/C(=O)C=1C=C(S([O-])(=O)=O)C=C2S([O-])(=O)=O.[K+].[K+].[K+]
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Spectral Code: IR : KBr disc
