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Home> Encyclopedia > Hot Product Listed 5   > 5,8-Nonadienoic acid,9-(4-chlorophenyl)-7,7-dimethyl-, (Z,Z)- (9CI)
21886-86-2 structure

5,8-Nonadienoic acid,9-(4-chlorophenyl)-7,7-dimethyl-, (Z,Z)- (9CI)

Iupac Name:sodium 3,5-dibromo-4-hydroxybenzenesulfonate
CAS No.:21886-86-2
Molecular Weight:353.94839
Molecular Formula:C17H12O3 (isomer)
Names and Identifiers
Synonyms

(5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid 9-(4-Chlorophenyl)-7,7-dimethyl-5(Z),8(Z)-nonadienoic acid AC1O5YQ8

Inchi
InChI=1/C6H4Br2O4S.Na/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;/h1-2,9H,(H,10,11,12);/q;+1/p-1
Canonical Smiles
C1=C(C=C(C(=C1Br)O)Br)S(=O)(=O)[O-].[Na+]
Properties
Density
1.39
Boiling Point
453.6°Cat760mmHg
Flash Point
324.8°C
Computational chemical data
  • Molecular Weight:353.94839g/mol
  • Molecular Formula:C17H12O3
  • Exact Mass:353.799603
  • Monoisotopic Mass:351.801649
  • Complexity:266
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:85.8
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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