C.I. Direct Green 12

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H21Cl2N7O8S2.2Na
Molecular Weight	836.588
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].NC1=C2C(=CC(=C1\N=N\C3=CC(Cl)=CC=C3Cl)S([O-])(=O)=O)C=C(C(\N=N\C4=CC=C(C=C4)C5=CC=C(C=C5)\N=N\C6=CC=C(O)C=C6)=C2O)S([O-])(=O)=O

InChI

InChIKey=GGAYJCOYRIIEJK-GHBGMWLISA-L

InChI=1S/C34H23Cl2N7O8S2.2Na/c35-21-5-14-26(36)27(17-21)41-42-32-28(52(46,47)48)15-20-16-29(53(49,50)51)33(34(45)30(20)31(32)37)43-40-23-8-3-19(4-9-23)18-1-6-22(7-2-18)38-39-24-10-12-25(44)13-11-24;;/h1-17,44-45H,37H2,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2/b39-38+,42-41+,43-40+;;

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	C34H21Cl2N7O8S2
Molecular Weight	790.609
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:01:00 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:00 GMT 2023`
Record UNII	A6NX9K2544
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

C.I. Direct Green 12

Common Name

English

2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-(2,5-dichlorophenyl)diazenyl]-5-hydroxy-6-[2-[4′-[2-(4-hydroxyphenyl)diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-, sodium salt (1:2)

Systematic Name

English

2,7-Naphthalenedisulfonic acid, 4-amino-3-[(2,5-dichlorophenyl)azo]-5-hydroxy-6-[[4′-[(4-hydroxyphenyl)azo][1,1′-biphenyl]-4-yl]azo]-, disodium salt

Common Name

English

C.I. 30290

Code

English

Code System Code Type Description

EPA CompTox

DTXSID601023956

Created by admin on Sat Dec 16 08:01:00 GMT 2023 , Edited by admin on Sat Dec 16 08:01:00 GMT 2023

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PUBCHEM

101593221

Created by admin on Sat Dec 16 08:01:00 GMT 2023 , Edited by admin on Sat Dec 16 08:01:00 GMT 2023

PRIMARY

FDA UNII

A6NX9K2544

Created by admin on Sat Dec 16 08:01:00 GMT 2023 , Edited by admin on Sat Dec 16 08:01:00 GMT 2023

PRIMARY

CAS

6486-55-1

Created by admin on Sat Dec 16 08:01:00 GMT 2023 , Edited by admin on Sat Dec 16 08:01:00 GMT 2023

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