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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11ClO4
Molecular Weight 230.645
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL 5-CHLORO-1-HYDROXY-4-OXO-2-PROPENYL-2-CYCLOPENTENE-1-CARBOXYLATE, (1S,5R)-(E)-

SMILES

COC(=O)[C@]1(O)[C@@H](Cl)C(=O)C=C1\C=C\C

InChI

InChIKey=HSATYRFYDXEDDB-KVCPUQMLSA-N
InChI=1S/C10H11ClO4/c1-3-4-6-5-7(12)8(11)10(6,14)9(13)15-2/h3-5,8,14H,1-2H3/b4-3+/t8-,10+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
METHYL 5-CHLORO-1-HYDROXY-4-OXO-2-PROPENYL-2-CYCLOPENTENE-1-CARBOXYLATE, (1S,5R)-(E)-
Systematic Name English
2-CYCLOPENTENE-1-CARBOXYLIC ACID, 5-CHLORO-1-HYDROXY-4-OXO-2-(1E)-1-PROPEN-1-YL-, METHYL ESTER, (1S,5R)-
Preferred Name English
2-CYCLOPENTENE-1-CARBOXYLIC ACID, 5-CHLORO-1-HYDROXY-4-OXO-2-PROPENYL-, METHYL ESTER, (1S,5R)-(E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
102115398
Created by admin on Mon Mar 31 20:53:04 GMT 2025 , Edited by admin on Mon Mar 31 20:53:04 GMT 2025
PRIMARY
FDA UNII
ZF5MRA6L1Y
Created by admin on Mon Mar 31 20:53:04 GMT 2025 , Edited by admin on Mon Mar 31 20:53:04 GMT 2025
PRIMARY
CAS
21747-90-0
Created by admin on Mon Mar 31 20:53:04 GMT 2025 , Edited by admin on Mon Mar 31 20:53:04 GMT 2025
PRIMARY
NIH
NCATS
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