DIRECT BLUE 98_Chemical Cloud Database

DIRECT BLUE 98

Basic Information
Product Name：	DIRECT BLUE 98
English Synonyms：	DIRECT BLUE 98
MDL Number.：	MFCD00230738
H bond acceptor：	18
H bond donor：	1
Smile：	c1ccc(cc1)Nc2ccc3c(c2)cc(c/4c3O[Cu]Oc5cc(ccc5/N=N4)c6ccc/7c(c6)O[Cu]Oc8c9c(cccc9S(=O)(=O)[O-])cc(c8/N=N7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C38H27N5O13S3.2Cu.3Na/c44-29-16-20(9-13-27(29)40-42-35-33(59(54,55)56)19-23-15-25(11-12-26(23)37(35)46)39-24-6-2-1-3-7-24)21-10-14-28(30(45)17-21)41-43-36-32(58(51,52)53)18-22-5-4-8-31(57(48,49)50)34(22)38(36)47;;;;;/h1-19,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;2+2;3+1/p-7/b42-40-,43-41-;;;;;
InChiKey：	InChIKey=JWTNYFWHDZSFKD-SNGAPEHVSA-G

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