(3Z,6E)-3,6-Bis[(5-Chloro-2-Hydroxy-3-Sulfophenyl)Hydrazono]-4,5-Dioxo-3,4,5,6-Tetrahydro-2,7-Naphthalenedisulfonic Acid

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Properties Simple | Detailed

Formula C22H14Cl2N4O16S4
IUPAC Name 2-[[(3-chloro-6-hydroxy-hexa-1,5-diynyl)amino]-sulfonato-amino]-5-[3-[2-(3-chloro-6-hydroxy-hexa-1,5-diynyl)hydrazino]prop-2-ynyl]-6-(oxomethylene)cyclohex-3-en-1-one; sulfur trioxide
Molecular Mass 789.530 g·mol−1
Heat of Formation -2094.6 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 711.57 Å 3
Surface Area 599.37 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -3.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,6e)-3,6-bis[(5-chloro-2-hydroxy-3-sulfo-phenyl)hydrazinylidene]-4,5-dioxo-naphthalene-2,7-disulfonic acid
  • (3z,6e)-3,6-bis[(5-chloro-2-hydroxy-3-sulfo-phenyl)hydrazono]-4,5-diketo-naphthalene-2,7-disulfonic acid
  • (3z,6e)-3,6-bis[(5-chloro-2-hydroxy-3-sulfo-phenyl)hydrazono]-4,5-dioxo-naphthalene-2,7-disulfonic acid
  • (3z,6e)-3,6-bis[(5-chloro-2-hydroxy-3-sulfophenyl)hydrazono]-4,5-dioxonaphthalene-2,7-disulfonic acid
  • 2,7-naphthalenedisulfonic acid, 3,6-bis((5-chloro-2-hydroxy-3-sulfophenyl)azo)-4,5-dihydroxy-
  • 3,6-bis((5-chloro-2-hydroxy-3-sulphophenyl)azo)-4,5-dihydroxynaphthalene-2,7-disulphonic acid
  • chlorosulfophenol s
CAS Number(s)
  • 2103-73-3
InChIKey NWDTXFFQZBOZQE-HJVIKEODSA-N
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