PIGMENT YELLOW 191

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H13ClN4O7S2.Ca
Molecular Weight	524.969
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	C17H13ClN4O7S2
Molecular Weight	484.891
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:49:17 UTC 2023` Edited by `admin` on `Sat Dec 16 06:49:17 UTC 2023`
Record UNII	C08B82I20P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIGMENT YELLOW 191

Common 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

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)

Common Name

English

PY 191

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 176.170