Disodium 4,4'-bis((6-anilino-4-(2-hydroxyethoxy)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H32N10O10S2.2Na
Molecular Weight	874.81
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Disodium 4,4'-bis((6-anilino-4-(2-hydroxyethoxy)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonate

Structure Search

SMILES

[Na+].[Na+].OCCOC1=NC(NC2=CC=CC=C2)=NC(NC3=CC(=C(\C=C\C4=C(C=C(NC5=NC(NC6=CC=CC=C6)=NC(OCCO)=N5)C=C4)S([O-])(=O)=O)C=C3)S([O-])(=O)=O)=N1

InChI

InChIKey=BLYMTTICGYPELP-YHPRVSEPSA-L

InChI=1S/C36H34N10O10S2.2Na/c47-17-19-55-35-43-31(37-25-7-3-1-4-8-25)41-33(45-35)39-27-15-13-23(29(21-27)57(49,50)51)11-12-24-14-16-28(22-30(24)58(52,53)54)40-34-42-32(38-26-9-5-2-6-10-26)44-36(46-34)56-20-18-48;;/h1-16,21-22,47-48H,17-20H2,(H,49,50,51)(H,52,53,54)(H2,37,39,41,43,45)(H2,38,40,42,44,46);;/q;2*+1/p-2/b12-11+;;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C36H32N10O10S2
Molecular Weight	828.83
Charge	-2
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 `Tue Apr 01 19:05:39 GMT 2025` Edited by `admin` on `Tue Apr 01 19:05:39 GMT 2025`
Record UNII	CM4X375WNX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Disodium 4,4'-bis((6-anilino-4-(2-hydroxyethoxy)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonate

Common Name

English

2,2?-Stilbenedisulfonic acid, 4,4?-bis[[4-anilino-6-(2-hydroxyethoxy)-s-triazin-2-yl]amino]-, disodium salt

Preferred Name

English

Benzenesulfonic acid, 2,2?-(1,2-ethenediyl)bis[5-[[4-(2-hydroxyethoxy)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt

Systematic Name

English

Code System Code Type Description

PUBCHEM

44149319