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New Coccine	Predict NMR spectrum	RN:  2611-82-7 MF:  C20H11N2Na3O10S3 MW:  604.46405
InChI:  1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;; InChIKey:  SWGJCIMEBVHMTA-ZRUFZDNISA-K	H donor:  1 H acceptor:  12 Rotatable bond:  5 Stereocenter:  0	cLogP:  -0.815 cLogS:  -2.842 Polar surface:  241.69
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