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China yellow	Predict NMR spectrum	RN:  8004-92-0 MF:  C20H17NO8Na2S2 MW:  509.45642
InChI:  1S/C18H11NO2.2CH4O3S.2Na/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15;2*1-5(2,3)4;;/h1-10,16H;2*1H3,(H,2,3,4);;/q;;;2*+1/p-2 InChIKey:  NYMFWSWVZMTZQO-UHFFFAOYSA-L	H donor:  0 H acceptor:  9 Rotatable bond:  1 Stereocenter:  0	cLogP:  -0.88 cLogS:  -3.655 Polar surface:  178.19
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