SODIUM PAEONOL SULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9O6S.Na
Molecular Weight	268.219
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].COC1=CC(OS([O-])(=O)=O)=C(C=C1)C(C)=O

InChI

InChIKey=YQXPITOIYPFUHU-UHFFFAOYSA-M

InChI=1S/C9H10O6S.Na/c1-6(10)8-4-3-7(14-2)5-9(8)15-16(11,12)13;/h3-5H,1-2H3,(H,11,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C9H9O6S
Molecular Weight	245.229
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 19:01:47 GMT 2023` Edited by `admin` on `Sat Dec 16 19:01:47 GMT 2023`
Record UNII	S247SP6E6C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM PAEONOL SULFATE

Common Name

English

Sodium paeonol sulfate [WHO-DD]

Common Name

English

ETHANONE, 1-(4-METHOXY-2-(SULFOOXY)PHENYL)-, SODIUM SALT (1:1)

Systematic Name

English

ETHANONE, 1-(4-METHOXY-2-(SULFOOXY)PHENYL)-, SODIUM SALT

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40237237

Created by admin on Sat Dec 16 19:01:47 GMT 2023 , Edited by admin on Sat Dec 16 19:01:47 GMT 2023

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CAS

88678-17-5

Created by admin on Sat Dec 16 19:01:47 GMT 2023 , Edited by admin on Sat Dec 16 19:01:47 GMT 2023

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PUBCHEM

23674285

Created by admin on Sat Dec 16 19:01:47 GMT 2023 , Edited by admin on Sat Dec 16 19:01:47 GMT 2023

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FDA UNII

S247SP6E6C

Created by admin on Sat Dec 16 19:01:47 GMT 2023 , Edited by admin on Sat Dec 16 19:01:47 GMT 2023

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Related Record Type Details


					3N8J5WZL57

Paeonol sulfate

PARENT -> SALT/SOLVATE

Amount: