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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H30O2S
Molecular Weight 358.537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-Dimethyl-7-(3-(3-phenylpropyl)-2-thienyl)heptanoic acid

SMILES

CC(C)(CCCCCC1=C(CCCC2=CC=CC=C2)C=CS1)C(O)=O

InChI

InChIKey=QMXLXSYXJOJQSN-UHFFFAOYSA-N
InChI=1S/C22H30O2S/c1-22(2,21(23)24)16-8-4-7-14-20-19(15-17-25-20)13-9-12-18-10-5-3-6-11-18/h3,5-6,10-11,15,17H,4,7-9,12-14,16H2,1-2H3,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C22H30O2S
Molecular Weight 358.537
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 Sat Dec 16 16:34:32 GMT 2023
Edited
by admin
on Sat Dec 16 16:34:32 GMT 2023
Record UNII
8F8A563YWD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-Dimethyl-7-(3-(3-phenylpropyl)-2-thienyl)heptanoic acid
Systematic Name English
α,α-Dimethyl-3-(3-phenylpropyl)-2-thiopheneheptanoic acid
Systematic Name English
2-Thiopheneheptanoic acid, α,α-dimethyl-3-(3-phenylpropyl)-
Systematic Name English
2,2-Dimethyl-7-(3-(3-phenylpropyl)thiophen-2-yl)heptanoic acid
Systematic Name English
Code System Code Type Description
CAS
142422-79-5
Created by admin on Sat Dec 16 16:34:32 GMT 2023 , Edited by admin on Sat Dec 16 16:34:32 GMT 2023
PRIMARY
PUBCHEM
132425
Created by admin on Sat Dec 16 16:34:32 GMT 2023 , Edited by admin on Sat Dec 16 16:34:32 GMT 2023
PRIMARY
FDA UNII
8F8A563YWD
Created by admin on Sat Dec 16 16:34:32 GMT 2023 , Edited by admin on Sat Dec 16 16:34:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID80162034
Created by admin on Sat Dec 16 16:34:32 GMT 2023 , Edited by admin on Sat Dec 16 16:34:32 GMT 2023
PRIMARY