Sodium 3-hydroxy-4-[(2-hydroxyphenyl)methyl]-1-naphthalenesulfonate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H13O5S.Na
Molecular Weight	352.337
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium 3-hydroxy-4-[(2-hydroxyphenyl)methyl]-1-naphthalenesulfonate

Structure Search

SMILES

[Na+].OC1=C(CC2=C(O)C=C(C3=CC=CC=C23)S([O-])(=O)=O)C=CC=C1

InChI

InChIKey=VRBSMDAVVGUERI-UHFFFAOYSA-M

InChI=1S/C17H14O5S.Na/c18-15-8-4-1-5-11(15)9-14-12-6-2-3-7-13(12)17(10-16(14)19)23(20,21)22;/h1-8,10,18-19H,9H2,(H,20,21,22);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C17H13O5S
Molecular Weight	329.347
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 `Wed Apr 02 19:16:57 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:57 GMT 2025`
Record UNII	7URM8B8DAS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxyphenyl)methyl]-, sodium salt

Preferred Name

English

Sodium 3-hydroxy-4-[(2-hydroxyphenyl)methyl]-1-naphthalenesulfonate

Systematic Name

English

Code System Code Type Description

CAS

85455-71-6

Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025

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FDA UNII

7URM8B8DAS

Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025

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ECHA (EC/EINECS)

287-305-4

Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025

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EPA CompTox

DTXSID40234680

Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025

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PUBCHEM

23662547

Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025

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Related Record Type Details


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3-Hydroxy-4-[(2-hydroxyphenyl)methyl]-1-naphthalenesulfonic acid

PARENT -> SALT/SOLVATE

Amount: