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Details

Stereochemistry ACHIRAL
Molecular Formula C8H3NO2
Molecular Weight 145.1149
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIATRETYNE 2

SMILES

OC(=O)\C=C\C#CC#CC#N

InChI

InChIKey=DMGKNZBGIHCAMP-GQCTYLIASA-N
InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+

HIDE SMILES / InChI

Molecular Formula C8H3NO2
Molecular Weight 145.1149
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:54:55 GMT 2023
Edited
by admin
on Sat Dec 16 07:54:55 GMT 2023
Record UNII
901HZ602ZX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIATRETYNE 2
Common Name English
DIATRETYNE II [MI]
Common Name English
NUDIC ACID B
Common Name English
2-HEPTENE-4,6-DIYNOIC ACID, 7-CYANO-, (2E)-
Systematic Name English
DIATRETYNE II
MI  
Common Name English
DIATRETYNE NITRILE
Common Name English
Code System Code Type Description
CAS
1402-35-3
Created by admin on Sat Dec 16 07:54:55 GMT 2023 , Edited by admin on Sat Dec 16 07:54:55 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
MERCK INDEX
m684
Created by admin on Sat Dec 16 07:54:55 GMT 2023 , Edited by admin on Sat Dec 16 07:54:55 GMT 2023
PRIMARY Merck Index
PUBCHEM
6433188
Created by admin on Sat Dec 16 07:54:55 GMT 2023 , Edited by admin on Sat Dec 16 07:54:55 GMT 2023
PRIMARY
CAS
463-15-0
Created by admin on Sat Dec 16 07:54:55 GMT 2023 , Edited by admin on Sat Dec 16 07:54:55 GMT 2023
PRIMARY
FDA UNII
901HZ602ZX
Created by admin on Sat Dec 16 07:54:55 GMT 2023 , Edited by admin on Sat Dec 16 07:54:55 GMT 2023
PRIMARY
CAS
3625-68-1
Created by admin on Sat Dec 16 07:54:55 GMT 2023 , Edited by admin on Sat Dec 16 07:54:55 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
ACTIVE MOIETY