CALCIUM 2-((2-HYDROXY-6-SULFONATO-1-NAPHTHYL)AZO)NAPHTHALENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H12N2O7S2.Ca
Molecular Weight	496.526
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM 2-((2-HYDROXY-6-SULFONATO-1-NAPHTHYL)AZO)NAPHTHALENESULFONATE

Structure Search

SMILES

[Ca++].OC1=CC=C2C=C(C=CC2=C1\N=N\C3=CC=C4C=CC=CC4=C3S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=ONPJOMROUFBQOP-QUABFQRHSA-L

InChI=1S/C20H14N2O7S2.Ca/c23-18-10-6-13-11-14(30(24,25)26)7-8-15(13)19(18)22-21-17-9-5-12-3-1-2-4-16(12)20(17)31(27,28)29;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b22-21+;

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	C20H12N2O7S2
Molecular Weight	456.448
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 `Sat Dec 16 11:55:49 GMT 2023` Edited by `admin` on `Sat Dec 16 11:55:49 GMT 2023`
Record UNII	I4WWI5MI7C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM 2-((2-HYDROXY-6-SULFONATO-1-NAPHTHYL)AZO)NAPHTHALENESULFONATE

Systematic Name

English

1-NAPHTHALENESULFONIC ACID, 2-(2-(2-HYDROXY-6-SULFO-1-NAPHTHALENYL)DIAZENYL)-, CALCIUM SALT (1:1)

Systematic Name

English

1-NAPHTHALENESULFONIC ACID, 2-((2-HYDROXY-6-SULFO-1-NAPHTHALENYL)AZO)-, CALCIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

I4WWI5MI7C

Created by admin on Sat Dec 16 11:55:49 GMT 2023 , Edited by admin on Sat Dec 16 11:55:49 GMT 2023

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ECHA (EC/EINECS)

280-328-0

Created by admin on Sat Dec 16 11:55:49 GMT 2023 , Edited by admin on Sat Dec 16 11:55:49 GMT 2023

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EPA CompTox

DTXSID7072886

Created by admin on Sat Dec 16 11:55:49 GMT 2023 , Edited by admin on Sat Dec 16 11:55:49 GMT 2023

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CAS

83249-60-9

Created by admin on Sat Dec 16 11:55:49 GMT 2023 , Edited by admin on Sat Dec 16 11:55:49 GMT 2023

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