Remazol black B

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 11
Total Number of Articles : 12
PubChem 135442967
Molecular Formula

C26H21N5Na4O19S6

SMILES

C1=CC(=CC=C1N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])N)O)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H25N5O19S6.4Na/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);;;;/q;4*+1/p-4

synonyms
  • Reactive Black 5
  • 17095-24-8
  • Remazol black B
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Properties
Property Value
MW 991.8 g/mol
HBD 2
HBA 24
Rotatable Bond Count 12
Exact Mass 990.8745776 g/mol
Monoisotopic Mass 990.8745776 g/mol
Heavy Atom Count 60
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 5
Complexity 2030
xlogp None
Topological Polar Surface Area 462