Benzoic acid, 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]phenyl]azo]-2-hydroxy-, disodium salt

CAS Name

Benzoic acid, 5-[2-[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2)

Molecular Formula

C₄₀H₃₂N₁₀O₁₂S₂.2Na

Molecular Mass

954.86

Other Names and Identifiers

InChI

InChI=1S/C40H32N10O12S2.2Na/c41-34-31(64(59,60)61)19-28(32-33(34)36(53)25-4-2-1-3-24(25)35(32)52)42-22-9-11-27(30(18-22)63(56,57)58)44-39-45-38(46-40(47-39)50-13-15-62-16-14-50)43-20-5-7-21(8-6-20)48-49-23-10-12-29(51)26(17-23)37(54)55;;/h1-12,17-19,42,51H,13-16,41H2,(H,54,55)(H,56,57,58)(H,59,60,61)(H2,43,44,45,46,47);;

InChIKey

InChIKey=BGFJXDLOJLQGDM-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(O)C1=CC(N=NC2=CC=C(C=C2)NC=3N=C(N=C(N3)N4CCOCC4)NC5=CC=C(C=C5S(=O)(=O)O)NC=6C=C(C(N)=C7C(=O)C=8C=CC=CC8C(=O)C67)S(=O)(=O)O)=CC=C1O

Other Names for this Substance