4,4'-{[5-(Hydroxymethyl)-2,6-Dioxo-4-Cyclohexene-1,3-Diylidene]Di(2E)-1-Hydrazinyl-2-Ylidene}Di(1-Naphthalenesulfonic Acid)

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Properties Simple | Detailed

Formula C27H20N4O9S2
IUPAC Name 4-[(2e)-2-[(5e)-3-(hydroxymethyl)-2,6-dioxo-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]-1-cyclohex-3-enylidene]hydrazinyl]naphthalene-1-sulfonic acid
Molecular Mass 608.599 g·mol−1
Heat of Formation -785.4 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 621.2 Å 3
Surface Area 541.01 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1-naphthalenesulfonic acid, 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]diazo]bis-
  • 4-[(n'e)-n'-[(5e)-2,6-diketo-3-methylol-5-[(4-sulfo-1-naphthyl)hydrazono]-1-cyclohex-3-enylidene]hydrazino]naphthalene-1-sulfonic acid
  • 4-[(n'e)-n'-[(5e)-3-(hydroxymethyl)-2,6-dioxo-5-[(4-sulfo-1-naphthyl)hydrazono]-1-cyclohex-3-enylidene]hydrazino]-1-naphthalenesulfonic acid
  • 4-[(n'e)-n'-[(5e)-3-(hydroxymethyl)-2,6-dioxo-5-[(4-sulfo-1-naphthyl)hydrazono]-1-cyclohex-3-enylidene]hydrazino]naphthalene-1-sulfonic acid
InChIKey QYZJZOXEQZLXDY-AIWRBXEOSA-N
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