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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H14O4
Molecular Weight 246.2586
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FTALOFYNE, (S)-

SMILES

CC[C@](C)(OC(=O)C1=C(C=CC=C1)C(O)=O)C#C

InChI

InChIKey=CZGIRAWWWHPJHM-CQSZACIVSA-N
InChI=1S/C14H14O4/c1-4-14(3,5-2)18-13(17)11-9-7-6-8-10(11)12(15)16/h1,6-9H,5H2,2-3H3,(H,15,16)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H14O4
Molecular Weight 246.2586
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 05:34:43 UTC 2023
Edited
by admin
on Sat Dec 16 05:34:43 UTC 2023
Record UNII
N4Q2044AZ0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FTALOFYNE, (S)-
Common Name English
1,2-BENZENEDICARBOXYLIC ACID, MONO(1-ETHYL-1-METHYL-2-PROPYNYL) ESTER, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
N4Q2044AZ0
Created by admin on Sat Dec 16 05:34:43 UTC 2023 , Edited by admin on Sat Dec 16 05:34:43 UTC 2023
PRIMARY
CAS
39877-73-1
Created by admin on Sat Dec 16 05:34:43 UTC 2023 , Edited by admin on Sat Dec 16 05:34:43 UTC 2023
PRIMARY
PUBCHEM
76960302
Created by admin on Sat Dec 16 05:34:43 UTC 2023 , Edited by admin on Sat Dec 16 05:34:43 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER