CUPRATE ,72927-72-1 _Chemical Cloud Database

CUPRATE

Basic Information
Product Name：	CUPRATE
CAS：	72927-72-1
English Synonyms：	CUPRATE
MDL Number.：	MFCD11041073
H bond acceptor：	21
H bond donor：	1
Smile：	c1ccc(cc1)Nc2ccc3c(c2)cc(c\4c3O[Cu]Oc5cc(ccc5/N=N4)c6ccc\7c(c6)O[Cu]Oc8c9c(cc(cc9S(=O)(=O)[O-])S(=O)(=O)[O-])cc(c8/N=N7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C38H27N5O16S4.2Cu.4Na/c44-29-14-19(6-10-27(29)40-42-35-32(62(54,55)56)16-21-12-24(8-9-26(21)37(35)46)39-23-4-2-1-3-5-23)20-7-11-28(30(45)15-20)41-43-36-33(63(57,58)59)17-22-13-25(60(48,49)50)18-31(61(51,52)53)34(22)38(36)47;;;;;;/h1-18,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;;;/q;2+2;4+1/p-8/b42-40+,43-41+;;;;;;
InChiKey：	InChIKey=MPTRGTBFTFSZQP-NUIQIBEWSA-F

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