PIGMENT YELLOW 191

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H13ClN4O7S2.Ca
Molecular Weight	524.9715
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CC1=NN(C(O)=C1\N=N\C2=CC(Cl)=C(C)C=C2S([O-])(=O)=O)C3=CC=CC(=C3)S([O-])(=O)=O

InChI

InChIKey=QJDYAGJLJWZUTQ-RZLHGTIFSA-L

InChI=1S/C17H15ClN4O7S2.Ca/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11)30(24,25)26;/h3-8,23H,1-2H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b20-19+;

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	C17H13ClN4O7S2
Molecular Weight	484.8935
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 `Mon Mar 31 21:38:23 GMT 2025` Edited by `admin` on `Mon Mar 31 21:38:23 GMT 2025`
Record UNII	C08B82I20P
Record Status	`FAILED`
Record Version

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Name

Type

Language

PIGMENT YELLOW 191

Common Name

English

BENZENESULFONIC ACID, 4-CHLORO-2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)-5-METHYL-, CALCIUM SALT (1:1)

Preferred Name

English

C.I. PIGMENT YELLOW 191

Common Name

English

CALCIUM 4-CHLORO-2-((5-HYDROXY-3-METHYL-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)-5-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

PIGMENT YELLOW 191 CALCIUM

Common Name

English

BENZENESULFONIC ACID, 4-CHLORO-2-(2-(4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)DIAZENYL)-5-METHYL-, CALCIUM SALT (1:1)

Common Name

English

C.I. 18795

Common Name

English

CI 18795

Common Name

English

PV FAST YELLOW HGR

Common Name

English

PY 191

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 176.170