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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
QCK4ZZC055
Record Status Validated (UNII)
Record Version