Trisodium 8-(Butyryloxy)-1,3,6-Pyrenetrisulfonate
[CAS# 115787-82-1]

Identification

• Name: Trisodium 8-(Butyryloxy)-1,3,6-Pyrenetrisulfonate
• Synonyms: 8-Butyryloxy-pyren-1,3,6-trisulfonic acid; 8-BUTYRYLOXYPYRENE-1,3,6-TRISULFONICACIDTRISODIUMSALT; 20800_FLUKA
• Molecular Formula: C₂₀H₁₃Na₃O₁₁S₃
• Molecular Weight: 594.47
• CAS Registry Number: 115787-82-1
• SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(c2ccc1c(cc(OC(=O)CCC)c3c1c2c4cc3)S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/C20H16O11S3.3Na/c1-2-3-18(21)31-14-8-15(32(22,23)24)11-6-7-13-17(34(28,29)30)9-16(33(25,26)27)12-5-4-10(14)19(11)20(12)13;;;/h4-9H,2-3H2,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3
• InChIKey: AXRHQOVIZNDJOE-UHFFFAOYSA-K

Properties

• Melting point: 240-250°C (Expl.)
• Refractive index: (Cal.)
• solubility: DMF, DMSO, H2O, MeOH