PIGMENT YELLOW 168

Details

Stereochemistry	RACEMIC
Molecular Formula	2C16H12ClN4O7S.Ca
Molecular Weight	919.692
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CC(=O)C(\N=N\C1=CC=C(C=C1[N+]([O-])=O)S([O-])(=O)=O)C(=O)NC2=CC=CC=C2Cl.CC(=O)C(\N=N\C3=CC=C(C=C3[N+]([O-])=O)S([O-])(=O)=O)C(=O)NC4=CC=CC=C4Cl

InChI

InChIKey=VAIFZRVTOUVLAW-FFRZOONGSA-L

InChI=1S/2C16H13ClN4O7S.Ca/c2*1-9(22)15(16(23)18-12-5-3-2-4-11(12)17)20-19-13-7-6-10(29(26,27)28)8-14(13)21(24)25;/h2*2-8,15H,1H3,(H,18,23)(H,26,27,28);/q;;+2/p-2/b2*20-19+;

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C16H12ClN4O7S
Molecular Weight	439.807
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:38:13 GMT 2025` Edited by `admin` on `Mon Mar 31 23:38:13 GMT 2025`
Record UNII	YOC53AXA3Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

C.I. 13960

Preferred Name

English

PIGMENT YELLOW 168

Common Name

English

C.I. PIGMENT YELLOW 68

Common Name

English

BENZENESULFONIC ACID, 4-(2-(1-(((2-CHLOROPHENYL)AMINO)CARBONYL)-2-OXOPROPYL)DIAZENYL)-3-NITRO-, CALCIUM SALT (2:1)

Common Name

English

CI 13960

Code

English

C.I. PIGMENT YELLOW 168

Common Name

English

PY 168

Common Name

English

Code System Code Type Description

CAS

71832-85-4

Created by admin on Mon Mar 31 23:38:13 GMT 2025 , Edited by admin on Mon Mar 31 23:38:13 GMT 2025

PRIMARY

EPA CompTox

DTXSID60891037

Created by admin on Mon Mar 31 23:38:13 GMT 2025 , Edited by admin on Mon Mar 31 23:38:13 GMT 2025

PRIMARY

FDA UNII

YOC53AXA3Q

Created by admin on Mon Mar 31 23:38:13 GMT 2025 , Edited by admin on Mon Mar 31 23:38:13 GMT 2025

PRIMARY

ECHA (EC/EINECS)

276-057-2

Created by admin on Mon Mar 31 23:38:13 GMT 2025 , Edited by admin on Mon Mar 31 23:38:13 GMT 2025

PRIMARY