2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[[4-chloro-6-[(3-chloro-4-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-3-[[2-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt

80294-29-7

CAS Name

2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[[4-chloro-6-[(3-chloro-4-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[2-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)

Molecular Formula

C₃₄H₂₈Cl₂N₁₀O₁₆S₅.4Na

Molecular Mass

1155.84

Other Names and Identifiers

InChI

InChI=1S/C34H28Cl2N10O16S5.4Na/c1-16-6-7-18(14-20(16)35)38-33-40-32(36)41-34(42-33)39-19-8-9-24(64(50,51)52)22(15-19)44-46-30-26(66(56,57)58)13-17-12-25(65(53,54)55)29(28(37)27(17)31(30)47)45-43-21-4-2-3-5-23(21)63(48,49)11-10-62-67(59,60)61;;;;/h2-9,12-15,47H,10-11,37H2,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H2,38,39,40,41,42);;;;

InChIKey

InChIKey=VOECXJYNJWBJRJ-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=C(S(=O)(=O)O)C=CC(NC=4N=C(NC5=CC(Cl)=C(C)C=C5)N=C(Cl)N4)=C3)C=C(S(=O)(=O)O)C(N=NC6=C(S(CCOS(=O)(=O)O)(=O)=O)C=CC=C6)=C2N.[Na]

Canonical SMILES

[Na].O=S(=O)(O)OCCS(=O)(=O)C=1C=CC=CC1N=NC=2C(N)=C3C(O)=C(N=NC4=CC(=CC=C4S(=O)(=O)O)NC=5N=C(Cl)N=C(N5)NC6=CC=C(C(Cl)=C6)C)C(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance