Reactive Blue 5
Chemical Formula:
C29H21N7O11S3CL
Molecular Weight:
775.158 Daltons
Monoisotopic Mass:
777.0384444299 Daltons
SMILES:
C6(Cl)(=NC(NC1(=CC=CC(S([O-])(=O)=O)=C1))=NC(NC5(C(S([O-])(=O)=O)=CC=C(NC2(C3(=C(C(N)=C(S([O-])(=O)=O)C=2)C(O)C4(=C(C(O)3)C=CC=C4))))C=5))=N6)
InChI:
1S/C29H24ClN7O11S3/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/h1-12,25-26,32,38-39H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
InChIKey:
Synonyms
- 1-Amino-4-{[3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino}-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid
Databases
MetaCyc:
CPD-12792
PubChem (CID):
56927956
ChEBI:
64278
CAS:
16823-51-1
MetaNetX:
MNXM21492