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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18O3
Molecular Weight 246.3016
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl 3-oxo-2-(phenylmethylene)butanoate, (Z)-

SMILES

CC(=O)C(=C\C1=CC=CC=C1)\C(=O)OC(C)(C)C

InChI

InChIKey=KLJBERRWMFDCSK-RAXLEYEMSA-N
InChI=1S/C15H18O3/c1-11(16)13(14(17)18-15(2,3)4)10-12-8-6-5-7-9-12/h5-10H,1-4H3/b13-10-

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1,1-Dimethylethyl 3-oxo-2-(phenylmethylene)butanoate, (Z)-
Systematic Name English
Butanoic acid, 3-oxo-2-(phenylmethylene)-, 1,1-dimethylethyl ester, (2Z)-
Systematic Name English
1,1-Dimethylethyl (2Z)-3-oxo-2-(phenylmethylene)butanoate
Common Name English
Butanoic acid, 3-oxo-2-(phenylmethylene)-, 1,1-dimethylethyl ester, (Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5365178
Created by admin on Sat Dec 16 19:53:57 GMT 2023 , Edited by admin on Sat Dec 16 19:53:57 GMT 2023
PRIMARY
CAS
125105-20-6
Created by admin on Sat Dec 16 19:53:57 GMT 2023 , Edited by admin on Sat Dec 16 19:53:57 GMT 2023
PRIMARY
FDA UNII
WR69V9VGR8
Created by admin on Sat Dec 16 19:53:57 GMT 2023 , Edited by admin on Sat Dec 16 19:53:57 GMT 2023
PRIMARY
NIH
NCATS
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