2-{(2Z)-2-[3-Methyl-1-(2-Methyl-4-Sulfophenyl)-5-Oxo-1,5-Dihydro-4H-Pyrazol-4-Ylidene]Hydrazino}-4-Sulfobenzoic Acid

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Properties Simple | Detailed

Formula C18H20N4O9S2
IUPAC Name 2-[(2e)-2-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-4-sulfobenzoic acid
Molecular Mass 500.503 g·mol−1
Heat of Formation -1106.3 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 499.0 Å 3
Surface Area 441.86 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2e)-2-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazinyl]-4-sulfo-benzoic acid
  • 2-[(2z)-2-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazinyl]-4-sulfo-benzoic acid
  • 2-[(2z)-2-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-4-sulfobenzoic acid
  • 2-[(n'e)-n'-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-4-sulfo-benzoic acid
  • 2-[(n'e)-n'-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-4-pyrazolylidene]hydrazino]-4-sulfobenzoic acid
  • 2-[(n'e)-n'-[5-keto-3-methyl-1-(2-methyl-4-sulfo-phenyl)pyrazol-4-ylidene]hydrazino]-4-sulfo-benzoic acid
  • 2-[(n'z)-n'-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-4-sulfo-benzoic acid
  • 2-[(n'z)-n'-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-4-pyrazolylidene]hydrazino]-4-sulfobenzoic acid
  • 2-[(n'z)-n'-[5-keto-3-methyl-1-(2-methyl-4-sulfo-phenyl)pyrazol-4-ylidene]hydrazino]-4-sulfo-benzoic acid
  • 2-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfo-phenyl)-1h-pyrazol-4-ylazo]-4-sulfo-benzoic acid
  • 2-{(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid
InChIKey ZZFBHJRYYQSCRS-SILNSSARSA-N
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