9-(2,4-Disulfophenyl)-2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']Diquinolizin-18-Ium Inner Salt Hydrate
[CAS# 123333-78-8]

Identification

• Name: 9-(2,4-Disulfophenyl)-2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']Diquinolizin-18-Ium Inner Salt Hydrate
• Synonyms: 2-(1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-PYRIDO[3,2,1-IJ]QUINOLIZINO[1',9':6,7,8]CHROMENO[2,3-F]QUINOLIN-4-IUM-9-YL)-5-SULFOBENZENESULFONATE; 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, HYDRATE; Sulfohodamine 101 Hydrate, Dye Content ~95 %
• Molecular Formula: C₃₁H₃₂N₂O₈S₂
• Molecular Weight: 624.72
• CAS Registry Number: 123333-78-8
• SMILES: [O-]S(=O)(=O)c1cc(ccc1C1=c2cc3CCC[N+]4=c3c(c2Oc2c1cc1CCCN3c1c2CCC3)CCC4)S(=O)(=O)O.O
• InChI: 1S/C31H30N2O7S2.H2O/c34-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-32-13-3-7-22(28(18)32)30(24)40-31-23-8-4-14-33-12-2-6-19(29(23)33)16-25(27)31;/h9-10,15-17H,1-8,11-14H2,(H-,34