5-[(2E)-2-(3-Carboxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Hydrazino]-2-(Sulfooxy)Benzoic Acid

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Properties Simple | Detailed

Formula C14H10N2O9S
IUPAC Name 5-[(2e)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfooxy-benzoic acid
Molecular Mass 382.302 g·mol−1
Heat of Formation -1179.8 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 377.89 Å 3
Surface Area 347.72 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(2e)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-sulfooxy-benzoic acid
  • 5-[(2e)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-sulfooxybenzoic acid
  • 5-[(n'e)-n'-(3-carboxy-4-keto-1-cyclohexa-2,5-dienylidene)hydrazino]-2-sulfoxy-benzoic acid
  • 5-[(n'e)-n'-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazino]-2-sulfooxy-benzoic acid
  • 5-[(n'e)-n'-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazino]-2-sulfooxybenzoic acid
  • olsalazine-o-sulfate
  • olsalazine-o-sulphate
CAS Number(s)
  • 116430-58-1
InChIKey BAHPNDUIXQQXRU-VIZOYTHASA-N
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