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Amaranth	Predict NMR spectrum	RN:  915-67-3 MF:  C20H11N2Na3O10S3 MW:  604.46405
InChI:  1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;; InChIKey:  WLDHEUZGFKACJH-ZRUFZDNISA-K	H donor:  1 H acceptor:  12 Rotatable bond:  5 Stereocenter:  0	cLogP:  -0.814 cLogS:  -2.841 Polar surface:  241.69
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