Tripotassium 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris[benzenesulfonate]

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H15N6O9S3.3K
Molecular Weight	708.868
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Tripotassium 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris[benzenesulfonate]

Structure Search

SMILES

[K+].[K+].[K+].[O-]S(=O)(=O)C1=CC=CC(NC2=NC(NC3=CC(=CC=C3)S([O-])(=O)=O)=NC(NC4=CC(=CC=C4)S([O-])(=O)=O)=N2)=C1

InChI

InChIKey=PXCHTXFLYYCDMY-UHFFFAOYSA-K

InChI=1S/C21H18N6O9S3.3K/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);;;/q;3*+1/p-3

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

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

Molecular Formula	C21H15N6O9S3
Molecular Weight	591.574
Charge	-3
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 `Sat Dec 16 12:34:24 GMT 2023` Edited by `admin` on `Sat Dec 16 12:34:24 GMT 2023`
Record UNII	ZAF6KXY4GT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tripotassium 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris[benzenesulfonate]

Systematic Name

English

Tripotassium 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris(benzenesulphonate)

Systematic Name

English

Benzenesulfonic acid, 3,3′,3′′-(1,3,5-triazine-2,4,6-triyltriimino)tris-, tripotassium salt

Systematic Name

English

Code System Code Type Description

CAS

94236-89-2