Bis(6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)triazen-1-yl)benzothiazolium) sulphate

89923-58-0

CAS Name

Benzothiazolium, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl]-, sulfate (2:1)

Molecular Formula

C₁₆H₁₆N₅O₃S.¹/₂O₄S

Other Names and Identifiers

InChI

InChI=1S/C16H16N5O3S.H2O4S/c1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23;1-5(2,3)4/h4-10H,1-3H3;(H2,1,2,3,4)/q+1;/p-2

InChIKey

InChIKey=IBAMBQSAEHXICU-UHFFFAOYSA-L

SMILES

C[N+]=1C=2C(SC1N=NN(C)C3=CC=C(N(=O)=O)C=C3)=CC(OC)=CC2.S(=O)(=O)([O-])[O-]

Canonical SMILES

O=N(=O)C1=CC=C(C=C1)N(N=NC=2SC=3C=C(OC)C=CC3[N+]2C)C.O=S(=O)([O-])[O-]

Other Names for this Substance