(2E,3Z)-1,1-Diamino-2-(2-Hydroxybenzylidene)-4-(2-Hydroxyphenyl)-3-Butene-1,3-Disulfonic Acid

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Formula C17H18N2O8S2
IUPAC Name (z,2e)-1,1-diamino-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylene]but-3-ene-1,3-disulfonic acid
Molecular Mass 442.463 g·mol−1
Heat of Formation -1121.4 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 465.05 Å 3
Surface Area 356.32 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (z,2e)-1,1-diamino-2-(2-hydroxybenzylidene)-4-(2-hydroxyphenyl)but-3-ene-1,3-disulfonic acid
  • (z,2e)-1,1-diamino-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylene]but-3-ene-1,3-disulfonic acid
  • (z,2e)-1,1-diamino-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidene]but-3-ene-1,3-disulfonic acid
  • benzenesulfonic acid, 3,3'-(1,3-propanediylbis(nitrilomethylidyne))bis(4-hydroxy-
  • disulfodisalicylidenepropane-1,1-diamine
  • dsspd
CAS Number(s)
  • 23435-80-5
InChIKey AELOHIKXMKTBKB-AJVLGPTGSA-N
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