ISAMINE BLUE ,1324-86-3 _Chemical Cloud Database

ISAMINE BLUE

Basic Information
Product Name：	ISAMINE BLUE
CAS：	1324-86-3
English Synonyms：	BRILLIANT DIANIL GREEN G ; ISAMINE BLUE ; PYRROLE BLUE
MDL Number.：	MFCD00213722
H bond acceptor：	9
H bond donor：	3
Smile：	Cc1cc(ccc1N)C(=C2C=CC(=Nc3ccc4ccc(cc4c3)S(=O)(=O)[O-])C=C2)c5ccc(cc5)Nc6ccc7ccc(cc7c6)S(=O)(=O)O.[Na+]
InChi：	InChI=1S/C40H31N3O6S2.Na/c1-25-20-30(10-19-39(25)41)40(28-4-11-33(12-5-28)42-35-15-2-26-8-17-37(50(44,45)46)23-31(26)21-35)29-6-13-34(14-7-29)43-36-16-3-27-9-18-38(51(47,48)49)24-32(27)22-36;/h2-24,42H,41H2,1H3,(H,44,45,46)(H,47,48,49);/q;+1/p-1/b40-29-,43-34-;
InChiKey：	InChIKey=UJMOQGMQIUKDFI-SLWQXHLQSA-M

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