MF: C29H25ClN8O17S5
MW: 953.3g/mol
IUPAC Name: 5-acetamido-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Isomeric SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC(=CC=C5)S(=O)(=O)CCOS(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O
InChIKey: SRRCKCYHGWDIQI-UHFFFAOYSA-N
InChI: InChI=1S/C29H25ClN8O17S5/c1-14(39)31-21-13-19(57(43,44)45)9-15-10-23(59(49,50)51)25(26(40)24(15)21)38-37-20-12-17(5-6-22(20)58(46,47)48)33-29-35-27(30)34-28(36-29)32-16-3-2-4-18(11-16)56(41,42)8-7-55-60(52,53)54/h2-6,9-13,40H,7-8H2,1H3,(H,31,39)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,32,33,34,35,36)
