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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H16O2
Molecular Weight 288.3398
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PYRENEBUTANOIC ACID

SMILES

OC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4

InChI

InChIKey=QXYRRCOJHNZVDJ-UHFFFAOYSA-N
InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-30833
Preferred Name English
1-PYRENEBUTANOIC ACID
Systematic Name English
PYRENE-3-BUTYRIC ACID
Systematic Name English
4-(1-PYRENYL)BUTANOIC ACID
Systematic Name English
1-PYRENYLBUTYRIC ACID
Systematic Name English
.GAMMA.-(3-PYRENYL)BUTYRIC ACID
Systematic Name English
4-(1-PYRENYL)BUTYRIC ACID
Systematic Name English
1-PYRENEBUTYRIC ACID
Systematic Name English
4-(1-PYRENE)BUTANOIC ACID
Systematic Name English
Code System Code Type Description
NSC
30833
Created by admin on Tue Apr 01 19:14:14 GMT 2025 , Edited by admin on Tue Apr 01 19:14:14 GMT 2025
PRIMARY
ECHA (EC/EINECS)
222-354-7
Created by admin on Tue Apr 01 19:14:14 GMT 2025 , Edited by admin on Tue Apr 01 19:14:14 GMT 2025
PRIMARY
CAS
3443-45-6
Created by admin on Tue Apr 01 19:14:14 GMT 2025 , Edited by admin on Tue Apr 01 19:14:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID4063032
Created by admin on Tue Apr 01 19:14:14 GMT 2025 , Edited by admin on Tue Apr 01 19:14:14 GMT 2025
PRIMARY
FDA UNII
CT0DC64E8Q
Created by admin on Tue Apr 01 19:14:14 GMT 2025 , Edited by admin on Tue Apr 01 19:14:14 GMT 2025
PRIMARY
PUBCHEM
76977
Created by admin on Tue Apr 01 19:14:14 GMT 2025 , Edited by admin on Tue Apr 01 19:14:14 GMT 2025
PRIMARY