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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H18N6O9S3
Molecular Weight	594.597
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

OS(=O)(=O)C1=CC(NC2=NC(NC3=CC=CC(=C3)S(O)(=O)=O)=NC(NC4=CC=CC(=C4)S(O)(=O)=O)=N2)=CC=C1

InChI

InChIKey=DWRLZGBQVFEEKS-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C21H18N6O9S3
Molecular Weight	594.597
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:06:55 GMT 2025` Edited by `admin` on `Tue Apr 01 17:06:55 GMT 2025`
Record UNII	92S6P59UEK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

Benzenesulfonic acid, 3,3?,3??-(1,3,5-triazine-2,4,6-triyltriimino)tris-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID9067518