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reactive black 5

MNXM149183 is deprecated and here replaced by MNXM729246
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM729246

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₆H₂₁N₅O₁₉S₆

charge

-4

mass

898.91769

reference

chebi:53734

InChIKey

OTKRGWXWWWNPKU-FUEWEDNTSA-J

InChI

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+

SMILES

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:53734 chebi:53734	reactive black 5 4-amino-5-hydroxy-3,6-bis[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate remazole black-GR (4-)
seed.compound:cpd14724 seedM:cpd14724	Oxidized reactive black 5 oxidized reactive black 5
metacyc.compound:CPD-10475 metacycM:CPD-10475	oxidized reactive black 5
seedM:M_cpd14724	secondary/obsolete/fantasy identifier