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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H9ClO2
Molecular Weight 244.673
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-Chlorophenyl)-1(3H)-isobenzofuranone, (3S)-

SMILES

ClC1=CC=C(C=C1)[C@@H]2OC(=O)C3=CC=CC=C23

InChI

InChIKey=SUSCNWIPCFTMMQ-ZDUSSCGKSA-N
InChI=1S/C14H9ClO2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17-13/h1-8,13H/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H9ClO2
Molecular Weight 244.673
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:02:28 GMT 2023
Edited
by admin
on Sat Dec 16 20:02:28 GMT 2023
Record UNII
ER4N9LUU2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-Chlorophenyl)-1(3H)-isobenzofuranone, (3S)-
Systematic Name English
(3S)-3-(4-Chlorophenyl)-1(3H)-isobenzofuranone
Systematic Name English
1(3H)-Isobenzofuranone, 3-(4-chlorophenyl)-, (3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
ER4N9LUU2G
Created by admin on Sat Dec 16 20:02:28 GMT 2023 , Edited by admin on Sat Dec 16 20:02:28 GMT 2023
PRIMARY
CAS
906540-47-4
Created by admin on Sat Dec 16 20:02:28 GMT 2023 , Edited by admin on Sat Dec 16 20:02:28 GMT 2023
PRIMARY
PUBCHEM
738147
Created by admin on Sat Dec 16 20:02:28 GMT 2023 , Edited by admin on Sat Dec 16 20:02:28 GMT 2023
PRIMARY
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