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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16O4
Molecular Weight 296.3172
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-ISATROPIC ACID, (-)-

SMILES

OC(=O)[C@H]1CC[C@@](C(O)=O)(C2=CC=CC=C2)C3=CC=CC=C13

InChI

InChIKey=LRUSLZFPYBAMCI-KBXCAEBGSA-N
InChI=1S/C18H16O4/c19-16(20)14-10-11-18(17(21)22,12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,19,20)(H,21,22)/t14-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H16O4
Molecular Weight 296.3172
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:35:23 GMT 2023
Edited
by admin
on Sat Dec 16 18:35:23 GMT 2023
Record UNII
U2M8LNB7DT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-ISATROPIC ACID, (-)-
Common Name English
1,4-NAPHTHALENEDICARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-PHENYL-, TRANS-(-)-
Systematic Name English
ISATROPIC ACID, TRANS-(-)-
Common Name English
Code System Code Type Description
PUBCHEM
15559788
Created by admin on Sat Dec 16 18:35:23 GMT 2023 , Edited by admin on Sat Dec 16 18:35:23 GMT 2023
PRIMARY
FDA UNII
U2M8LNB7DT
Created by admin on Sat Dec 16 18:35:23 GMT 2023 , Edited by admin on Sat Dec 16 18:35:23 GMT 2023
PRIMARY
CAS
89066-66-0
Created by admin on Sat Dec 16 18:35:23 GMT 2023 , Edited by admin on Sat Dec 16 18:35:23 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER