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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 .BETA.-ISATROPIC ACID, (-)-

SMILES

OC(=O)[C@H]1CC[C@](C(O)=O)(C2=CC=CC=C2)C3=C1C=CC=C3

InChI

InChIKey=LRUSLZFPYBAMCI-KSSFIOAISA-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 Mon Mar 31 22:57:44 GMT 2025
Edited
by admin
on Mon Mar 31 22:57:44 GMT 2025
Record UNII
AJA847FQ2T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-ISATROPIC ACID, (-)-
Common Name English
ISATROPIC ACID, CIS-(-)-
Preferred Name English
1,4-NAPHTHALENEDICARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-PHENYL-, CIS-(-)-
Systematic Name English
Code System Code Type Description
CAS
116724-31-3
Created by admin on Mon Mar 31 22:57:44 GMT 2025 , Edited by admin on Mon Mar 31 22:57:44 GMT 2025
PRIMARY
FDA UNII
AJA847FQ2T
Created by admin on Mon Mar 31 22:57:44 GMT 2025 , Edited by admin on Mon Mar 31 22:57:44 GMT 2025
PRIMARY
PUBCHEM
933421
Created by admin on Mon Mar 31 22:57:44 GMT 2025 , Edited by admin on Mon Mar 31 22:57:44 GMT 2025
PRIMARY
Related Record Type Details
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ENANTIOMER -> ENANTIOMER