2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-Sulfo-1-(2-Sulfoethyl)-1,3-Dihydro-2H-Indol-2-Ylidene]-4-Methyl-1,3,5-Heptatrien-1-Yl}-3,3-Dimethyl-5-Sulfo-1-(2-Sulfoethyl)-3H-Indolium

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Properties Simple | Detailed

Formula C32H39N2O12S4+
IUPAC Name 2-[(1e,3e,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-2-ylidene]-4-methylhepta-1,3,5-trienyl]-3,3-dimethyl-1-(2-sulfoethyl)indol-1-ium-5-sulfonic acid
Molecular Mass 771.918 g·mol−1
Heat of Formation 2827.3 ± 16.7 kJ·mol−1
Dipole Moment 16.25 ± 1.08 D
Volume 759.51 Å 3
Surface Area 656.76 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -3.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1e,3e,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2-indolinylidene]-4-methylhepta-1,3,5-trienyl]-3,3-dimethyl-1-(2-sulfoethyl)-5-indol-1-iumsulfonic acid
  • 2-[(1e,3e,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-2-ylidene]-4-methyl-hepta-1,3,5-trienyl]-3,3-dimethyl-1-(2-sulfoethyl)indol-1-ium-5-sulfonic acid
  • 2-[(1e,3e,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indolin-2-ylidene]-4-methyl-hepta-1,3,5-trienyl]-3,3-dimethyl-1-(2-sulfoethyl)indol-1-ium-5-sulfonic acid
InChIKey WKWHOLCUESSZIQ-UHFFFAOYSA-O
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