5-(2-Carboxyethyl)-6-{[(5E)-6-(4-Methoxyphenyl)-5-Hexen-1-Yl]Oxy}-9-Oxo-9H-Xanthene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C24H10O8
IUPAC Name carbon dioxide; 3-[2-(3-hepta-1,3,5-triynoxy-9-oxo-xanthen-4-yl)ethynyl]dioxiran-3-olate
Molecular Mass 426.331 g·mol−1
Heat of Formation -1134.6 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 605.64 Å 3
Surface Area 537.19 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-7-carboxy-3-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-9-oxo-9h-xanthene-4-propanoic acid
  • 5-(2-carboxyethyl)-6-[(e)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxo-2-xanthenecarboxylic acid
  • 5-(2-carboxyethyl)-6-[(e)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxo-xanthene-2-carboxylic acid
  • 5-(2-carboxyethyl)-6-[(e)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxoxanthene-2-carboxylic acid
  • 5-(2-carboxyethyl)-9-keto-6-[(e)-6-(4-methoxyphenyl)hex-5-enoxy]xanthene-2-carboxylic acid
  • 7-carboxy-3-((6-(methoxyphenyl)-5(e)-hexenyl)oxy)-9-oxo-9h-xanthene-4-propanoic acid
  • 9h-xanthene-4-propanoic acid, 7-carboxy-3-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-9-oxo-, (e)-
  • ly 210073
  • ly-210073
CAS Number(s)
  • 148291-65-0
InChIKey MTTBGOLFCYOWSV-GQCTYLIASA-N
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