1,3,6-Naphthalenetrisulfonic acid, 7-[[3-(acetylamino)-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]-, pentasodium salt

CAS Name

1,3,6-Naphthalenetrisulfonic acid, 7-[2-[3-(acetylamino)-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:5)

Molecular Formula

C₄₁H₂₉ClN₁₀O₁₈S₅.5Na

Molecular Mass

1260.46

Other Names and Identifiers

InChI

InChI=1S/C41H29ClN10O18S5.5Na/c1-17(53)44-26-13-20(51-52-28-15-24-18(11-32(28)74(65,66)67)10-21(71(56,57)58)14-31(24)73(62,63)64)6-8-25(26)46-40-48-39(42)49-41(50-40)47-27-12-19(7-9-30(27)72(59,60)61)45-29-16-33(75(68,69)70)36(43)35-34(29)37(54)22-4-2-3-5-23(22)38(35)55;;;;;/h2-16,45H,43H2,1H3,(H,44,53)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,46,47,48,49,50);;;;;

InChIKey

InChIKey=LGROIWFYQHYVAY-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C(=C4)NC=5N=C(Cl)N=C(N5)NC6=CC=C(N=NC7=CC8=C(C=C(C=C8S(=O)(=O)O)S(=O)(=O)O)C=C7S(=O)(=O)O)C=C6NC(=O)C)S(=O)(=O)O)=C13)S(=O)(=O)O

Other Names for this Substance