DISODIUM 2-((6-((6-ANILINO-4-(4-SULPHAMOYLPHENYL)-1,3,5-TRIAZIN-2-YL)AMINO)-2-NAPHTHYL)AZO)-5-((4-SULFONATOPHENYL)AZO)BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H26N10O8S3.2Na
Molecular Weight	880.839
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM 2-((6-((6-ANILINO-4-(4-SULPHAMOYLPHENYL)-1,3,5-TRIAZIN-2-YL)AMINO)-2-NAPHTHYL)AZO)-5-((4-SULFONATOPHENYL)AZO)BENZENESULFONATE

Structure Search

SMILES

[Na+].[Na+].NS(=O)(=O)C1=CC=C(C=C1)C2=NC(NC3=CC=CC=C3)=NC(NC4=CC5=C(C=C4)C=C(C=C5)N=NC6=C(C=C(C=C6)N=NC7=CC=C(C=C7)S([O-])(=O)=O)S([O-])(=O)=O)=N2

InChI

InChIKey=XMVJTZYIJLZZEH-PSCQSACFSA-L

InChI=1S/C37H28N10O8S3.2Na/c38-56(48,49)31-15-8-23(9-16-31)35-41-36(39-26-4-2-1-3-5-26)43-37(42-35)40-28-10-6-25-21-29(11-7-24(25)20-28)46-47-33-19-14-30(22-34(33)58(53,54)55)45-44-27-12-17-32(18-13-27)57(50,51)52;;/h1-22H,(H2,38,48,49)(H,50,51,52)(H,53,54,55)(H2,39,40,41,42,43);;/q;2*+1/p-2/b45-44+,47-46+;;

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	C37H26N10O8S3
Molecular Weight	834.86
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:33:14 GMT 2023` Edited by `admin` on `Sat Dec 16 12:33:14 GMT 2023`
Record UNII	HV36YD5N9X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM 2-((6-((6-ANILINO-4-(4-SULPHAMOYLPHENYL)-1,3,5-TRIAZIN-2-YL)AMINO)-2-NAPHTHYL)AZO)-5-((4-SULFONATOPHENYL)AZO)BENZENESULFONATE

Common Name

English

Benzenesulfonic acid, 2-[2-[6-[[4-[4-(aminosulfonyl)phenyl]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-naphthalenyl]diazenyl]-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)

Common Name

English

Benzenesulfonic acid, 2-[[6-[[4-[4-(aminosulfonyl)phenyl]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-naphthalenyl]azo]-5-[(4-sulfophenyl)azo]-, disodium salt

Common Name

English

Code System Code Type Description

FDA UNII

HV36YD5N9X