Trisodium 2-[4-[2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl]-2-H-naphtho[1,2-d]triazole-5-sulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H13N4O11S3.3Na
Molecular Weight	698.545
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Trisodium 2-[4-[2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl]-2-H-naphtho[1,2-d]triazole-5-sulfonate

Structure Search

SMILES

[Na+].[Na+].[Na+].[O-][N+](=O)C1=CC(=C(C=CC2=C(C=C(C=C2)N3N=C4C=C(C5=CC=CC=C5C4=N3)S([O-])(=O)=O)S([O-])(=O)=O)C=C1)S([O-])(=O)=O

InChI

InChIKey=SMGMFTGDFISQCE-FWMLTEASSA-K

InChI=1S/C24H16N4O11S3.3Na/c29-28(30)17-10-8-15(22(12-17)41(34,35)36)6-5-14-7-9-16(11-21(14)40(31,32)33)27-25-20-13-23(42(37,38)39)18-3-1-2-4-19(18)24(20)26-27;;;/h1-13H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b6-5+;;;

HIDE SMILES / InChI

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

Molecular Formula	C24H13N4O11S3
Molecular Weight	629.575
Charge	-3
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:47:31 GMT 2023` Edited by `admin` on `Sat Dec 16 19:47:31 GMT 2023`
Record UNII	SAD3NFA7GH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Trisodium 2-[4-[2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl]-2-H-naphtho[1,2-d]triazole-5-sulfonate

Systematic Name

English

2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-, sodium salt (1:3)

Common Name

English

2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-, trisodium salt

Common Name

English

Code System Code Type Description

PUBCHEM

172397

Created by admin on Sat Dec 16 19:47:31 GMT 2023 , Edited by admin on Sat Dec 16 19:47:31 GMT 2023

PRIMARY

FDA UNII

SAD3NFA7GH

Created by admin on Sat Dec 16 19:47:31 GMT 2023 , Edited by admin on Sat Dec 16 19:47:31 GMT 2023

PRIMARY

CAS

69178-37-6

Created by admin on Sat Dec 16 19:47:31 GMT 2023 , Edited by admin on Sat Dec 16 19:47:31 GMT 2023

PRIMARY

EPA CompTox

DTXSID70890031

Created by admin on Sat Dec 16 19:47:31 GMT 2023 , Edited by admin on Sat Dec 16 19:47:31 GMT 2023

PRIMARY

Related Record Type Details


					L3X32M6Q2A

2-[4-[2-(4-Nitro-2-sulphophenyl)vinyl]-3-sulphophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonic acid

PARENT -> SALT/SOLVATE

Amount: