5-(Chlorosulfonyl)-2-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-Pyrido[3,2,1-Ij]Quinolizino[1',9':6,7,8]Chromeno[2,3-F]Quinolin-4-Ium-9-Yl)Benzenesulfonate

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Formula C31H29ClN2O6S2
IUPAC Name 5-(chlorosulfonyl)-2-(2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzenesulfonate
Molecular Mass 625.155 g·mol−1
Heat of Formation -757.9 ± 16.7 kJ·mol−1
Dipole Moment 10.09 ± 1.08 D
Volume 652.49 Å 3
Surface Area 525.26 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1h,5h,11h,15h-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium, 9-(2,4-disulfophenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt
  • sr 101
  • sulforhodamine 101
  • sulforhodamine 101 acid chloride
  • sulforhodamine 101 sulfonyl chloride
  • sulforhodamine 640
CAS Number(s)
  • 60311-02-6
InChIKey MPLHNVLQVRSVEE-UHFFFAOYSA-N
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