Reactive Yellow 3R

80156-97-4

CAS Name

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

Molecular Formula

C₂₈H₂₄ClN₉O₁₆S₅.4Na

Molecular Mass

1030.28

Other Names and Identifiers

InChI

InChI=1S/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-1-4-17(5-2-15)55(40,41)8-7-54-59(51,52)53)36-28(35-25)32-16-3-6-20(21(11-16)33-26(30)39)37-38-22-13-19-14(10-24(22)58(48,49)50)9-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-6,9-13H,7-8H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;

InChIKey

InChIKey=LTGVIWNHNGCUIN-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(CCOS(=O)(=O)O)(=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)CCOS(=O)(=O)O

Other Names for this Substance