3,3′,3′′-(1,3,5-Triazine-2,4,6-triyltriimino)tris[benzenesulfonic acid]

CAS Registry Number®

29850-38-2

CAS Name

3,3′,3′′-(1,3,5-Triazine-2,4,6-triyltriimino)tris[benzenesulfonic acid]

Molecular Formula

C21H18N6O9S3

Molecular Mass

594.60

Cite this Page

3,3′,3′′-(1,3,5-Triazine-2,4,6-triyltriimino)tris[benzenesulfonic acid].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29850-38-2 (retrieved 2024-11-23) (CAS RN: 29850-38-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H18N6O9S3/c28-37(29,30)16-7-1-4-13(10-16)22-19-25-20(23-14-5-2-8-17(11-14)38(31,32)33)27-21(26-19)24-15-6-3-9-18(12-15)39(34,35)36/h1-12H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H3,22,23,24,25,26,27)

InChIKey

InChIKey=DWRLZGBQVFEEKS-UHFFFAOYSA-N

SMILES

N(C=1N=C(NC2=CC(S(=O)(=O)O)=CC=C2)N=C(NC3=CC(S(=O)(=O)O)=CC=C3)N1)C4=CC(S(=O)(=O)O)=CC=C4

Canonical SMILES

O=S(=O)(O)C=1C=CC=C(C1)NC=2N=C(N=C(N2)NC3=CC=CC(=C3)S(=O)(=O)O)NC4=CC=CC(=C4)S(=O)(=O)O

Other Names for this Substance

  • Benzenesulfonic acid, 3,3′,3′′-(1,3,5-triazine-2,4,6-triyltriimino)tris-
  • 3,3′,3′′-(1,3,5-Triazine-2,4,6-triyltriimino)tris[benzenesulfonic acid]

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