oxidized Reactive Blue 5

Chemical Formula:

C₂₉H₁₇N₇O₁₁S₃CL

Molecular Weight:

771.127 Daltons

Monoisotopic Mass:

773.0071443014999 Daltons

SMILES:

C2(NC1(C=CC=C(S(=O)(=O)[O-])C=1))(N=C(Cl)N=C(N=2)NC3(C=C(C=CC(S(=O)(=O)[O-])=3)NC4(=CC(S([O-])(=O)=O)=C(N)C5(=C4C(=O)C6(=C(C(=O)5)C=CC=C6)))))

InChI:

1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3

Databases

MetaCyc: CPD-12794