CALCIUM BIS(2-CHLORO-5-((2-HYDROXY-1-NAPHTHYL)AZO)TOLUENE-4-SULPHONATE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C17H12ClN2O4S.Ca
Molecular Weight	791.69
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM BIS(2-CHLORO-5-((2-HYDROXY-1-NAPHTHYL)AZO)TOLUENE-4-SULPHONATE)

Structure Search

SMILES

[Ca++].CC1=CC(\N=N\C2=C(O)C=CC3=CC=CC=C23)=C(C=C1Cl)S([O-])(=O)=O.CC4=CC(\N=N\C5=C(O)C=CC6=CC=CC=C56)=C(C=C4Cl)S([O-])(=O)=O

InChI

InChIKey=VAMWUMJBWMYDOF-FFRZOONGSA-L

InChI=1S/2C17H13ClN2O4S.Ca/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-19+;

HIDE SMILES / InChI

Molecular Formula	C17H12ClN2O4S
Molecular Weight	375.806
Charge	-1
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 17:46:41 GMT 2023` Edited by `admin` on `Sat Dec 16 17:46:41 GMT 2023`
Record UNII	JJC4UL3044
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM BIS(2-CHLORO-5-((2-HYDROXY-1-NAPHTHYL)AZO)TOLUENE-4-SULPHONATE)

Systematic Name

English

BENZENESULFONIC ACID, 5-CHLORO-2-((2-HYDROXY-1-NAPHTHALENYL)AZO)-4-METHYL-, CALCIUM SALT (2:1)

Common Name

English

C.I. PIGMENT RED 53:2

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID4070956

Created by admin on Sat Dec 16 17:46:41 GMT 2023 , Edited by admin on Sat Dec 16 17:46:41 GMT 2023

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ECHA (EC/EINECS)

268-057-6

Created by admin on Sat Dec 16 17:46:41 GMT 2023 , Edited by admin on Sat Dec 16 17:46:41 GMT 2023

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CAS

67990-35-6

Created by admin on Sat Dec 16 17:46:41 GMT 2023 , Edited by admin on Sat Dec 16 17:46:41 GMT 2023

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FDA UNII

JJC4UL3044

Created by admin on Sat Dec 16 17:46:41 GMT 2023 , Edited by admin on Sat Dec 16 17:46:41 GMT 2023

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