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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H24O2
Molecular Weight 200.3178
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYL (2S)-2-METHYLBUTANOATE

SMILES

CCCCCCCOC(=O)[C@@H](C)CC

InChI

InChIKey=CSFWIAGTSVOEOD-NSHDSACASA-N
InChI=1S/C12H24O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h11H,4-10H2,1-3H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H24O2
Molecular Weight 200.3178
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 18:27:14 GMT 2023
Edited
by admin
on Sat Dec 16 18:27:14 GMT 2023
Record UNII
RR9CBF2TRF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYL (2S)-2-METHYLBUTANOATE
Systematic Name English
BUTANOIC ACID, 2-METHYL-, HEPTYL ESTER, (S)-
Common Name English
Code System Code Type Description
PUBCHEM
53737520
Created by admin on Sat Dec 16 18:27:14 GMT 2023 , Edited by admin on Sat Dec 16 18:27:14 GMT 2023
PRIMARY
CAS
51183-36-9
Created by admin on Sat Dec 16 18:27:14 GMT 2023 , Edited by admin on Sat Dec 16 18:27:14 GMT 2023
PRIMARY
FDA UNII
RR9CBF2TRF
Created by admin on Sat Dec 16 18:27:14 GMT 2023 , Edited by admin on Sat Dec 16 18:27:14 GMT 2023
PRIMARY