9-(4-(Chlorosulphonyl)-2-Sulphonatophenyl)-3,6-Bis(Diethylamino)Xanthylium

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Properties Simple | Detailed

Formula C27H29ClN2O6S2
IUPAC Name chloro(dioxido)sulfonium; n3,n3,n6,n6-tetramethyl-9-[(z)-1-methyl-2-sulfonato-prop-1-enyl]-1h-xanthene-3,6-diamine
Molecular Mass 577.112 g·mol−1
Heat of Formation -779.0 ± 16.7 kJ·mol−1
Dipole Moment 10.53 ± 1.08 D
Volume 629.07 Å 3
Surface Area 518.87 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chlorosulfonyl-2-(3-diethylamino-6-diethylazaniumylidene-9-xanthenyl)benzenesulfonate
  • 5-chlorosulfonyl-2-(3-diethylamino-6-diethylazaniumylidene-xanthen-9-yl)benzenesulfonate
  • 5-chlorosulfonyl-2-(3-diethylamino-6-diethylazaniumylidenexanthen-9-yl)benzenesulfonate
  • lissamine rhodamine b sulfonyl chloride
  • lissamine rhodamine b sulfonylchloride
  • sulforhodamine b acid chloride
  • xanthylium, 9-(4-(chlorosulfonyl)-2-sulfophenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt
  • xanthylium, 9-(4-(chlorosulfonyl)-2-sulfophenyl)-3,6-bis(diethylamino)-, inner salt
CAS Number(s)
  • 205327-29-3
  • 62796-29-6
  • 73492-00-9
InChIKey YERWMQJEYUIJBO-UHFFFAOYSA-N
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