Acid Red R 3G

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H40ClN9O7S2.2Na
Molecular Weight	868.332
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CCCCCCCCCCCCNC1=NC(NC2=CC3=CC(=C(\N=N\C4=CC=C(C=C4)\N=N\C5=CC=C(C=C5)S([O-])(=O)=O)C(O)=C3C=C2)S([O-])(=O)=O)=NC(Cl)=N1

InChI

InChIKey=VDKPMRJPMMEELL-PSCQSACFSA-L

InChI=1S/C37H42ClN9O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-22-39-36-41-35(38)42-37(43-36)40-29-18-21-31-25(23-29)24-32(56(52,53)54)33(34(31)48)47-46-27-14-12-26(13-15-27)44-45-28-16-19-30(20-17-28)55(49,50)51;;/h12-21,23-24,48H,2-11,22H2,1H3,(H,49,50,51)(H,52,53,54)(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	C37H40ClN9O7S2
Molecular Weight	822.353
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 10:26:52 GMT 2023` Edited by `admin` on `Sat Dec 16 10:26:52 GMT 2023`
Record UNII	GGD38RP7GN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Acid Red R 3G

Common Name

English

2-Naphthalenesulfonic acid, 7-[[4-chloro-6-(dodecylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-, disodium salt

Common Name

English

2-Naphthalenesulfonic acid, 7-[[4-chloro-6-(dodecylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)

Common Name

English

Code System Code Type Description

CAS

145703-76-0

Created by admin on Sat Dec 16 10:26:52 GMT 2023 , Edited by admin on Sat Dec 16 10:26:52 GMT 2023

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EPA CompTox

DTXSID60890464

Created by admin on Sat Dec 16 10:26:52 GMT 2023 , Edited by admin on Sat Dec 16 10:26:52 GMT 2023

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FDA UNII

GGD38RP7GN

Created by admin on Sat Dec 16 10:26:52 GMT 2023 , Edited by admin on Sat Dec 16 10:26:52 GMT 2023

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