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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H16O3
Molecular Weight 232.275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,6,7,8-Tetrahydro-γ-oxo-2-naphthalenebutanoic acid

SMILES

OC(=O)CCC(=O)C1=CC=C2CCCCC2=C1

InChI

InChIKey=KTIOSKUXBNFTFX-UHFFFAOYSA-N
InChI=1S/C14H16O3/c15-13(7-8-14(16)17)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C14H16O3
Molecular Weight 232.275
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 12:30:53 GMT 2023
Edited
by admin
on Sat Dec 16 12:30:53 GMT 2023
Record UNII
7D7GGR8GKM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,6,7,8-Tetrahydro-γ-oxo-2-naphthalenebutanoic acid
Systematic Name English
NSC-97637
Code English
5,6,7,8-Tetrahydro-γ-oxonaphthalene-2-butyric acid
Systematic Name English
NSC-5254
Code English
2-Naphthalenebutanoic acid, 5,6,7,8-tetrahydro-γ-oxo-
Systematic Name English
Code System Code Type Description
PUBCHEM
69916
Created by admin on Sat Dec 16 12:30:53 GMT 2023 , Edited by admin on Sat Dec 16 12:30:53 GMT 2023
PRIMARY
NSC
97637
Created by admin on Sat Dec 16 12:30:53 GMT 2023 , Edited by admin on Sat Dec 16 12:30:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID70229125
Created by admin on Sat Dec 16 12:30:53 GMT 2023 , Edited by admin on Sat Dec 16 12:30:53 GMT 2023
PRIMARY
CAS
785-17-1
Created by admin on Sat Dec 16 12:30:53 GMT 2023 , Edited by admin on Sat Dec 16 12:30:53 GMT 2023
PRIMARY
NSC
5254
Created by admin on Sat Dec 16 12:30:53 GMT 2023 , Edited by admin on Sat Dec 16 12:30:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-319-4
Created by admin on Sat Dec 16 12:30:53 GMT 2023 , Edited by admin on Sat Dec 16 12:30:53 GMT 2023
PRIMARY
FDA UNII
7D7GGR8GKM
Created by admin on Sat Dec 16 12:30:53 GMT 2023 , Edited by admin on Sat Dec 16 12:30:53 GMT 2023
PRIMARY