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Details

Stereochemistry MIXED
Molecular Formula C26H18Cl4N2
Molecular Weight 500.247
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,6-BIS(3,4-DICHLOROPHENYL)-4-METHYL-5-PHENYL-2-HEPTENEDINITRILE

SMILES

CC(C=C(C#N)C1=CC(Cl)=C(Cl)C=C1)C(C(C#N)C2=CC(Cl)=C(Cl)C=C2)C3=CC=CC=C3

InChI

InChIKey=DUWOIFQHJVNIOF-JAIQZWGSSA-N
InChI=1S/C26H18Cl4N2/c1-16(11-20(14-31)18-7-9-22(27)24(29)12-18)26(17-5-3-2-4-6-17)21(15-32)19-8-10-23(28)25(30)13-19/h2-13,16,21,26H,1H3/b20-11-

HIDE SMILES / InChI

Molecular Formula C26H18Cl4N2
Molecular Weight 500.247
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:39 GMT 2023
Record UNII
87S0NMD1UO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-BIS(3,4-DICHLOROPHENYL)-4-METHYL-5-PHENYL-2-HEPTENEDINITRILE
Systematic Name English
2-HEPTENEDINITRILE, 2,6-BIS(3,4-DICHLOROPHENYL)-4-METHYL-5-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID301030285
Created by admin on Sat Dec 16 08:19:39 GMT 2023 , Edited by admin on Sat Dec 16 08:19:39 GMT 2023
PRIMARY
FDA UNII
87S0NMD1UO
Created by admin on Sat Dec 16 08:19:39 GMT 2023 , Edited by admin on Sat Dec 16 08:19:39 GMT 2023
PRIMARY
PUBCHEM
154292
Created by admin on Sat Dec 16 08:19:39 GMT 2023 , Edited by admin on Sat Dec 16 08:19:39 GMT 2023
PRIMARY
CAS
128350-00-5
Created by admin on Sat Dec 16 08:19:39 GMT 2023 , Edited by admin on Sat Dec 16 08:19:39 GMT 2023
PRIMARY