U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C29H44O4
Molecular Weight 456.6573
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Hydroxy-6-octadecyloxy-2-naphthoic acid

SMILES

CCCCCCCCCCCCCCCCCCOC1=CC2=CC=C(C(O)=O)C(O)=C2C=C1

InChI

InChIKey=HZAMBLFVFWGWSW-UHFFFAOYSA-N
InChI=1S/C29H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-25-19-21-26-24(23-25)18-20-27(28(26)30)29(31)32/h18-21,23,30H,2-17,22H2,1H3,(H,31,32)

HIDE SMILES / InChI

Molecular Formula C29H44O4
Molecular Weight 456.6573
Charge 0
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 Tue Apr 01 17:46:51 GMT 2025
Edited
by admin
on Tue Apr 01 17:46:51 GMT 2025
Record UNII
8G3H3987CB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Naphthalenecarboxylic acid, 1-hydroxy-6-(octadecyloxy)-
Preferred Name English
1-Hydroxy-6-octadecyloxy-2-naphthoic acid
Systematic Name English
1-Hydroxy-6-(octadecyloxy)-2-naphthalenecarboxylic acid
Systematic Name English
Code System Code Type Description
CAS
38134-94-0
Created by admin on Tue Apr 01 17:46:51 GMT 2025 , Edited by admin on Tue Apr 01 17:46:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
253-799-5
Created by admin on Tue Apr 01 17:46:51 GMT 2025 , Edited by admin on Tue Apr 01 17:46:51 GMT 2025
PRIMARY
FDA UNII
8G3H3987CB
Created by admin on Tue Apr 01 17:46:51 GMT 2025 , Edited by admin on Tue Apr 01 17:46:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID0068070
Created by admin on Tue Apr 01 17:46:51 GMT 2025 , Edited by admin on Tue Apr 01 17:46:51 GMT 2025
PRIMARY
PUBCHEM
170007
Created by admin on Tue Apr 01 17:46:51 GMT 2025 , Edited by admin on Tue Apr 01 17:46:51 GMT 2025
PRIMARY