2-{2-[(Z)-[(2E)-(6-Oxo-3-Sulfo-2,4-Cyclohexadien-1-Ylidene)Hydrazono](Phenyl)Methyl]Hydrazino}Benzoic Acid

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Properties Simple | Detailed

Formula C20H16N4O6S
IUPAC Name 2-[2-[(z)-n-[(e)-(6-oxo-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-c-phenyl-carbonimidoyl]hydrazino]benzoic acid
Molecular Mass 440.429 g·mol−1
Heat of Formation -424.1 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 473.36 Å 3
Surface Area 397.93 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1-(2-hydroxy-5-sulfophenyl)-3-phenyl-5-formazano)benzoic acid
  • 2-(1-(2-hydroxy-5-sulphophenyl)-3-phenyl-5-formazano)benzoic acid
  • 2-[n'-[(z)-[(e)-(6-oxo-3-sulfo-1-cyclohexa-2,4-dienylidene)hydrazono]-phenylmethyl]hydrazino]benzoic acid
  • 2-[n'-[[(6-oxo-3-sulfo-1-cyclohexa-2,4-dienylidene)hydrazono]-phenylmethyl]hydrazino]benzoic acid
  • benzoic acid, 2-((((2-hydroxy-5-sulfophenyl)azo)phenylmethylene)hydrazino)-
  • benzoic acid, 2-(1-(2-hydroxy-5-sulfophenyl)-3-phenyl-5-formazano)-
InChIKey KYUQWEINLPZOTJ-OQKWZONESA-N
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