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Indigo Carmine	Predict NMR spectrum	RN:  860-22-0 MF:  C16H8N2Na2O8S2 MW:  466.34766
InChI:  1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;; InChIKey:  KHLVKKOJDHCJMG-QDBORUFSSA-L	H donor:  2 H acceptor:  10 Rotatable bond:  2 Stereocenter:  0	cLogP:  -2.56 cLogS:  -1.827 Polar surface:  189.36
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