4-(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-18-Ium-9-Yl)-3-Sulfobenzenesulfonate

Molecule SVG Image

Properties Simple | Detailed

Formula C31H30N2O7S2
IUPAC Name 4-(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-18-ium-9-yl)-3-sulfobenzenesulfonate
Molecular Mass 606.709 g·mol−1
Heat of Formation -939.0 ± 16.7 kJ·mol−1
Dipole Moment 8.97 ± 1.08 D
Volume 639.57 Å 3
Surface Area 517.39 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -1.33 ± 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
  • sulforhodamine 101 hydrate
  • sulforhodamine- 101
CAS Number(s)
  • 116777-18-5
  • 207409-03-8
InChIKey COIVODZMVVUETJ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N