1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt

CAS Name

1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-(ethenylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3)

Molecular Formula

C₂₈H₂₂ClN₉O₁₂S₄.3Na

Other Names and Identifiers

InChI

InChI=1S/C28H22ClN9O12S4.3Na/c1-2-51(40,41)17-6-3-15(4-7-17)31-27-34-25(29)35-28(36-27)32-16-5-8-20(21(11-16)33-26(30)39)37-38-22-13-19-14(10-24(22)54(48,49)50)9-18(52(42,43)44)12-23(19)53(45,46)47;;;/h2-13H,1H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,31,32,34,35,36);;;

InChIKey

InChIKey=GTHJSMWUNQJLQE-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(NC(N)=O)C=C(NC=4N=C(NC5=CC=C(S(C=C)(=O)=O)C=C5)N=C(Cl)N4)C=C3)=C2)C=C(S(=O)(=O)O)C1.[Na]

Canonical SMILES

[Na].O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)=CC2S(=O)(=O)O)NC=4N=C(Cl)N=C(N4)NC5=CC=C(C=C5)S(=O)(=O)C=C

Other Names for this Substance