ORANGE I(523-44-4) IR1

Product NameORANGE I

Molecular FormulaC16H12N2O4S.Na

Molecular Weight351.33

InChIInChI=1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1/b18-17+;

InChIKey AZLXCBPKSXFMET-ZAGWXBKKSA-M

SmilesC12C=CC=CC1=C(C=CC=2/N=N/C1=CC=C(S([O-])(=O)=O)C=C1)O.[Na+]

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KBr disc

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