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Home> Encyclopedia > Hot Product Listed 5   > 5-Tetradecenedioicacid, (5Z)-
882080-32-2 structure

5-Tetradecenedioicacid, (5Z)-

Iupac Name:N'-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide
CAS No.:882080-32-2
Molecular Weight:312.834
Molecular Formula:C24H20 (isomer)
Names and Identifiers
Synonyms

(5z)-tetradec-5-enedioic acid 5-tetradecenedioic acid, (5z)- cis-5-tetradecene dioic acid LP061022 SCHEMBL6706929 ZUAMFASDJCGODP-HYXAFXHYSA-N

Inchi
InChI=1S/C12H13ClN4S2/c1-17(2)8-14-11-15-16-12(19-11)18-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3/b14-8+
InChkey
YMAXDFACMMZKLC-RIYZIHGNSA-N
Canonical Smiles
CN(C)C=NC1=NN=C(S1)SCC2=CC=C(C=C2)Cl
Properties
Boiling Point
789.2°Cat760mmHg
Computational chemical data
  • Molecular Weight:312.834g/mol
  • Molecular Formula:C24H20
  • Compound Is Canonicalized:True
  • Exact Mass:312.027
  • Monoisotopic Mass:312.027
  • Complexity:296
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:94.9A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzgABkAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAYIAAAADAKEWCSzEIMAAAim AiBDJAASAQNgBRANiAAIAogIICKhExCAIAAggAAIiAcAgAAOBAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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