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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15NO2
Molecular Weight 217.2637
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(5-ETHYL-1,3-DIOXAN-2-YL)BENZONITRILE, CIS-

SMILES

CC[C@H]1CO[C@H](OC1)C2=CC=C(C=C2)C#N

InChI

InChIKey=YWSBRIQSYKROHJ-GSJFWJNXSA-N
InChI=1S/C13H15NO2/c1-2-10-8-15-13(16-9-10)12-5-3-11(7-14)4-6-12/h3-6,10,13H,2,8-9H2,1H3/t10-,13+

HIDE SMILES / InChI

Molecular Formula C13H15NO2
Molecular Weight 217.2637
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:53:46 GMT 2023
Edited
by admin
on Sat Dec 16 11:53:46 GMT 2023
Record UNII
9H0Y0Z3V0L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(5-ETHYL-1,3-DIOXAN-2-YL)BENZONITRILE, CIS-
Systematic Name English
BENZONITRILE, 4-(CIS-5-ETHYL-1,3-DIOXAN-2-YL)-
Systematic Name English
BENZONITRILE, 4-(5-ETHYL-1,3-DIOXAN-2-YL)-, CIS-
Systematic Name English
Code System Code Type Description
CAS
1393826-78-2
Created by admin on Sat Dec 16 11:53:46 GMT 2023 , Edited by admin on Sat Dec 16 11:53:46 GMT 2023
PRIMARY
FDA UNII
9H0Y0Z3V0L
Created by admin on Sat Dec 16 11:53:46 GMT 2023 , Edited by admin on Sat Dec 16 11:53:46 GMT 2023
PRIMARY