CALCIUM 2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)-1-NAPHTHALENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H14N4O7S2.Ca
Molecular Weight	526.556
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM 2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)-1-NAPHTHALENESULFONATE

Structure Search

SMILES

[Ca++].CC1=NN(C(O)=C1\N=N\C2=CC=C3C=CC=CC3=C2S([O-])(=O)=O)C4=CC=CC(=C4)S([O-])(=O)=O

InChI

InChIKey=OJRRGTHULIWMSL-QUABFQRHSA-L

InChI=1S/C20H16N4O7S2.Ca/c1-12-18(20(25)24(23-12)14-6-4-7-15(11-14)32(26,27)28)22-21-17-10-9-13-5-2-3-8-16(13)19(17)33(29,30)31;/h2-11,25H,1H3,(H,26,27,28)(H,29,30,31);/q;+2/p-2/b22-21+;

HIDE SMILES / InChI

Molecular Formula	C20H14N4O7S2
Molecular Weight	486.478
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 `Mon Mar 31 21:32:12 GMT 2025` Edited by `admin` on `Mon Mar 31 21:32:12 GMT 2025`
Record UNII	29TUI0642S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

CALCIUM 2-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)-1-NAPHTHALENESULFONATE

Common Name

English

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

Common Name

English

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

Common Name

English

C.I. PIGMENT YELLOW 209

Common Name

English

Classification Tree Code System Code

Food Contact Sustance Notif, (FCN No.)

FCN NO, 25