Benzoic acid, 4-[[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt

228574-07-0

CAS Name

Benzoic acid, 4-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)

Molecular Formula

C₂₈H₂₂ClN₇O₁₅S₄.4Na

Other Names and Identifiers

InChI

InChI=1S/C28H22ClN7O15S4.4Na/c29-26-32-27(30-16-5-7-18(8-6-16)52(40,41)10-9-51-55(48,49)50)34-28(33-26)31-20-13-19(53(42,43)44)11-15-12-21(54(45,46)47)23(24(37)22(15)20)36-35-17-3-1-14(2-4-17)25(38)39;;;;/h1-8,11-13,37H,9-10H2,(H,38,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34);;;;

InChIKey

InChIKey=KDPBITDRVWKOAI-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=CC=C(C(O)=O)C=C3)=C2O)C=C(S(=O)(=O)O)C1)C=4N=C(NC5=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C5)N=C(Cl)N4.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC=C(N=NC2=C(O)C3=C(C=C(C=C3NC=4N=C(Cl)N=C(N4)NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)C=C2S(=O)(=O)O)C=C1

Other Names for this Substance