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Details

Stereochemistry ACHIRAL
Molecular Formula C14H11O3.Na
Molecular Weight 250.2251
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYLPARABEN SODIUM

SMILES

[Na+].[O-]C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2

InChI

InChIKey=JSMLEGBBJQVZGJ-UHFFFAOYSA-M
InChI=1S/C14H12O3.Na/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11;/h1-9,15H,10H2;/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C14H11O3
Molecular Weight 227.2353
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 05:14:38 UTC 2023
Edited
by admin
on Sat Dec 16 05:14:38 UTC 2023
Record UNII
82W7I990AN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYLPARABEN SODIUM
Common Name English
BENZOIC ACID, 4-HYDROXY-, PHENYLMETHYL ESTER, SODIUM SALT (1:1)
Common Name English
BENZOIC ACID, P-HYDROXY-, BENZYL ESTER, SODIUM SALT
Common Name English
SODIUM BENZYL PARAHYDROXYBENZOATE
Systematic Name English
SODIUM BENZYL 4-HYDROXYBENZOATE
Systematic Name English
BENZOIC ACID, 4-HYDROXY-, PHENYLMETHYL ESTER, SODIUM SALT
Common Name English
BENZYL P-HYDROXYBENZOATE SODIUM SALT
Common Name English
Code System Code Type Description
DRUG BANK
DBSALT002753
Created by admin on Sat Dec 16 05:14:38 UTC 2023 , Edited by admin on Sat Dec 16 05:14:38 UTC 2023
PRIMARY
CAS
5693-29-8
Created by admin on Sat Dec 16 05:14:38 UTC 2023 , Edited by admin on Sat Dec 16 05:14:38 UTC 2023
PRIMARY
PUBCHEM
71586812
Created by admin on Sat Dec 16 05:14:38 UTC 2023 , Edited by admin on Sat Dec 16 05:14:38 UTC 2023
PRIMARY
FDA UNII
82W7I990AN
Created by admin on Sat Dec 16 05:14:38 UTC 2023 , Edited by admin on Sat Dec 16 05:14:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID40205476
Created by admin on Sat Dec 16 05:14:38 UTC 2023 , Edited by admin on Sat Dec 16 05:14:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE