TRISODIUM 2-((4-((4-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-7-SULFONATO-1-NAPHTHYL)AZO)-2,5-DIMETHYLPHENYL)AZO)BENZENE-1,4-DISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H17Cl2N8O9S3.3Na
Molecular Weight	833.542
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of TRISODIUM 2-((4-((4-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-7-SULFONATO-1-NAPHTHYL)AZO)-2,5-DIMETHYLPHENYL)AZO)BENZENE-1,4-DISULFONATE

Structure Search

SMILES

[Na+].[Na+].[Na+].CC1=CC(\N=N\C2=C3C=C(C=CC3=C(NC4=NC(Cl)=NC(Cl)=N4)C=C2)S([O-])(=O)=O)=C(C)C=C1\N=N\C5=CC(=CC=C5S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=FUGDXAAYCZQYSW-DKZBWMTHSA-K

InChI=1S/C27H20Cl2N8O9S3.3Na/c1-13-10-22(36-37-23-12-16(48(41,42)43)4-8-24(23)49(44,45)46)14(2)9-21(13)35-34-20-7-6-19(30-27-32-25(28)31-26(29)33-27)17-5-3-15(11-18(17)20)47(38,39)40;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;/q;3*+1/p-3/b35-34+,37-36+;;;

HIDE SMILES / InChI

Molecular Formula	C27H17Cl2N8O9S3
Molecular Weight	764.573
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
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 12:02:49 GMT 2023` Edited by `admin` on `Sat Dec 16 12:02:49 GMT 2023`
Record UNII	5UZ22TQY3M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRISODIUM 2-((4-((4-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-7-SULFONATO-1-NAPHTHYL)AZO)-2,5-DIMETHYLPHENYL)AZO)BENZENE-1,4-DISULFONATE

Common Name

English

1,4-BENZENEDISULFONIC ACID, 2-(2-(4-(2-(4-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-7-SULFO-1-NAPHTHALENYL)DIAZENYL)-2,5-DIMETHYLPHENYL)DIAZENYL)-, SODIUM SALT (1:3)

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

288-023-4