oxidized reactive black 5
Chemical Formula:
C26H21N5O19S6
Molecular Weight:
899.834 Daltons
Monoisotopic Mass:
902.9467977884001 Daltons
SMILES:
C(OS(=O)(=O)[O-])CS(=O)(=O)C1(C=CC(=CC=1)N=NC4(=C(N)C3(C(O)=C(N=NC2(C=CC(S(CCOS(=O)(=O)[O-])(=O)=O)=CC=2))C(S(=O)(=O)[O-])=CC=3C=C(S([O-])(=O)=O)4)))
InChI:
1S/C26H25N5O19S6/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/p-4/b30-28+,31-29+
InChIKey:
Databases
MetaCyc:
CPD-10475
KEGG:
C16001
ChEBI:
53734
MetaNetX:
MNXM149183