4-Hydroxy-5-{[(E)-(6-Oxo-2,4-Cyclohexadien-1-Ylidene)Methyl]Amino}-2,7-Naphthalenedisulfonic Acid

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Formula C17H13NO8S2
IUPAC Name 4-hydroxy-5-[[(e)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalene-2,7-disulfonic acid
Molecular Mass 423.417 g·mol−1
Heat of Formation -1053.4 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 421.17 Å 3
Surface Area 379.75 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-5-[[(e)-(6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]naphthalene-2,7-disulfonic acid
  • 4-hydroxy-5-[[(e)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]naphthalene-2,7-disulfonic acid
InChIKey YWRFBXPQBUKIHP-MDZDMXLPSA-N
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