Trisodium 8-(Dodecanoyloxy)-1,3,6-Pyrenetrisulfonate
[CAS# 115787-85-4]

Identification

• Name: Trisodium 8-(Dodecanoyloxy)-1,3,6-Pyrenetrisulfonate
• Synonyms: 8-Dodecanoyloxypyrene-1,3,6-trisulfonic acid trisodium salt; Trisodium 8-dodecanoyloxypyrene-1,3,6-trisulfonate; 44122_FLUKA
• Molecular Formula: C₂₈H₂₉Na₃O₁₁S₃
• Molecular Weight: 706.69
• CAS Registry Number: 115787-85-4
• SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(c1ccc2c(cc(OC(=O)CCCCCCCCCCC)c3ccc4c1c23)S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/C28H32O11S3.3Na/c1-2-3-4-5-6-7-8-9-10-11-26(29)39-22-16-23(40(30,31)32)19-14-15-21-25(42(36,37)38)17-24(41(33,34)35)20-13-12-18(22)27(19)28(20)21;;;/h12-17H,2-11H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3
• InChIKey: NVXUITXLZMPDSZ-UHFFFAOYSA-K

Properties

• Refractive index: (Cal.)