2-{(Z)-[3-Chloro-4-(β-D-Galactopyranosyloxy)Phenyl][(4E)-3-Chloro-4-Oxonio-2,5-Cyclohexadien-1-Ylidene]Methyl}Benzenesulfonate

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Properties Simple | Detailed

Formula C25H22Cl2O10S
IUPAC Name 2-[(z)-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)-[3-chloro-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]benzenesulfonic acid
Molecular Mass 585.407 g·mol−1
Heat of Formation -1460.1 ± 16.7 kJ·mol−1
Dipole Moment 10.68 ± 1.08 D
Volume 605.18 Å 3
Surface Area 467.56 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(z)-(3-chloro-4-keto-1-cyclohexa-2,5-dienylidene)-[3-chloro-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]methyl]benzenesulfonic acid
  • 2-[(z)-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)-[3-chloro-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl]benzenesulfonic acid
  • 2-[(z)-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)-[3-chloro-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]benzenesulfonic acid
  • 2-[(z)-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)-[3-chloro-4-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl]benzenesulfonic acid
  • chlorophenol red-beta-d-galactopyranoside
  • chlorophenol red-beta-d-galactoside
InChIKey YOUWVNCQJOMMEU-AETRGLENSA-N
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