STRONTIUM 2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)-BENZOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H12N4O6S.Sr
Molecular Weight	487.99
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of STRONTIUM 2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)-BENZOATE

Structure Search

SMILES

[Sr++].CC1=NN(C(O)=C1\N=N\C2=CC=CC=C2C([O-])=O)C3=CC=CC(=C3)S([O-])(=O)=O

InChI

InChIKey=XCICXIJFJJFZAU-LTRPLHCISA-L

InChI=1S/C17H14N4O6S.Sr/c1-10-15(19-18-14-8-3-2-7-13(14)17(23)24)16(22)21(20-10)11-5-4-6-12(9-11)28(25,26)27;/h2-9,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b19-18+;

HIDE SMILES / InChI

Molecular Formula	Sr
Molecular Weight	87.62
Charge	2
Count

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

Molecular Formula	C17H12N4O6S
Molecular Weight	400.365
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 21:28:50 GMT 2025` Edited by `admin` on `Mon Mar 31 21:28:50 GMT 2025`
Record UNII	831OW15P3U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STRONTIUM 2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)-BENZOATE

Common Name

English

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

Preferred Name

English

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

Common Name

English

C.I. PIGMENT YELLOW 212

Common Name

English

Classification Tree Code System Code

Food Contact Sustance Notif, (FCN No.)

FCN NO. 84