7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, monosodium salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H12N5O6S2.Na
Molecular Weight	481.438
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, monosodium salt

Structure Search

SMILES

[Na+].CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)\N=N\C4C(=O)NC(=O)NC4=O)S([O-])(=O)=O

InChI

InChIKey=AKCDCAQDDVLGOI-PGCQSHBKSA-M

InChI=1S/C18H13N5O6S2.Na/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25;/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26);/q;+1/p-1/b23-22+;

HIDE SMILES / InChI

Molecular Formula	C18H12N5O6S2
Molecular Weight	458.448
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 12:21:26 GMT 2023` Edited by `admin` on `Sat Dec 16 12:21:26 GMT 2023`
Record UNII	2S5SF2CA2W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, monosodium salt

Common Name

English

7-Benzothiazolesulfonic acid, 2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-, sodium salt (1:1)

Systematic Name

English

7-Benzothiazolesulfonic acid, 2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-, sodium salt

Common Name

English

Code System Code Type Description

FDA UNII

2S5SF2CA2W