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Details

Stereochemistry RACEMIC
Molecular Formula C8H12O4
Molecular Weight 172.1785
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SEC-BUTYL FUMARATE

SMILES

CCC(C)OC(=O)\C=C\C(O)=O

InChI

InChIKey=GTVVADNAPPKOSH-SNAWJCMRSA-N
InChI=1S/C8H12O4/c1-3-6(2)12-8(11)5-4-7(9)10/h4-6H,3H2,1-2H3,(H,9,10)/b5-4+

HIDE SMILES / InChI

Molecular Formula C8H12O4
Molecular Weight 172.1785
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:04 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:04 GMT 2023
Record UNII
0Z55V91NVW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SEC-BUTYL FUMARATE
Systematic Name English
2-BUTENEDIOIC ACID (E)-, MONO(1-METHYLPROPYL) ESTER
Systematic Name English
FUMARIC ACID, SEC-BUTYL ESTER
Common Name English
2-BUTENEDIOIC ACID (2E)-, MONO(1-METHYLPROPYL) ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
0Z55V91NVW
Created by admin on Sat Dec 16 10:06:04 GMT 2023 , Edited by admin on Sat Dec 16 10:06:04 GMT 2023
PRIMARY
PUBCHEM
6441708
Created by admin on Sat Dec 16 10:06:04 GMT 2023 , Edited by admin on Sat Dec 16 10:06:04 GMT 2023
PRIMARY
CAS
92402-16-9
Created by admin on Sat Dec 16 10:06:04 GMT 2023 , Edited by admin on Sat Dec 16 10:06:04 GMT 2023
PRIMARY