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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-ETHYLHEXANOATE, (S)-

SMILES

CCCC[C@H](CC)C(=O)OC

InChI

InChIKey=KICUISADAVMYCJ-QMMMGPOBSA-N
InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H18O2
Molecular Weight 158.238
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 10:28:35 GMT 2023
Edited
by admin
on Sat Dec 16 10:28:35 GMT 2023
Record UNII
QCK4ZZC055
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2-ETHYLHEXANOATE, (S)-
Systematic Name English
HEXANOIC ACID, 2-ETHYL-, METHYL ESTER, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
40565506
Created by admin on Sat Dec 16 10:28:35 GMT 2023 , Edited by admin on Sat Dec 16 10:28:35 GMT 2023
PRIMARY
CAS
143005-67-8
Created by admin on Sat Dec 16 10:28:35 GMT 2023 , Edited by admin on Sat Dec 16 10:28:35 GMT 2023
PRIMARY
FDA UNII
QCK4ZZC055
Created by admin on Sat Dec 16 10:28:35 GMT 2023 , Edited by admin on Sat Dec 16 10:28:35 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER