CHOCOLATE BROWN HT

CAS No.
4553-89-3 ;4353-89-3
CCD No.
CCD00250322
Formula
C27 H18 N4 O9 S2 . 2 Na
MolWeight
652.57

Basic Information

Product Name: CHOCOLATE BROWN HT
CAS: 4553-89-3 ;4353-89-3
English Synonyms: BROWN HT ; FOOD BROWN 3 ; CHOCOLATE BROWN HT ; BROWN 3
MDL Number.: MFCD01747711
H bond acceptor: 13
H bond donor: 3
Smile: c1ccc2c(c1)c(ccc2S(=O)(=O)[O-])/N=N/c3cc(c(c(c3O)/N=N/c4ccc(c5c4cccc5)S(=O)(=O)[O-])O)CO.[Na+].[Na+]
InChi: InChI=1S/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-28+,31-29+;;
InChiKey: InChIKey=BIRIBMFCDVVRKL-DBHLKOEUSA-L

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