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Orange(II)	NEW: Predict NMR spectrum	RN:  633-96-5 MF:  C16H11N2NaO4S MW:  350.32411 mp (°C):  164
InChI:  1S/C16H12N2O4S.Na/c19-15-9-8-11-4-1-2-7-14(11)16(15)18-17-12-5-3-6-13(10-12)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1/b18-17+; InChIKey:  NNNMINGWLMNSKH-ZAGWXBKKSA-M	H donor:  1 H acceptor:  6 Rotatable bond:  3 Stereocenter:  0	cLogP:  2.814 cLogS:  -4.024 Polar surface:  110.53
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