Cas no 2665-65-8 (Phenol,4,4'-(1-methylethylidene)bis-, 1,1'-bis(4-methylbenzenesulfonate))
2665-65-8 structure
Product Name:Phenol,4,4'-(1-methylethylidene)bis-, 1,1'-bis(4-methylbenzenesulfonate)
CAS No:2665-65-8
MF:C29H28O6S2
MW:536.659026145935
CID:255155
PubChem ID:266522
Update Time:2025-04-19
Phenol,4,4'-(1-methylethylidene)bis-, 1,1'-bis(4-methylbenzenesulfonate) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4,4'-(1-methylethylidene)bis-, 1,1'-bis(4-methylbenzenesulfonate)
- AC1Q6XZ0
- AG-K-47807
- AR-1L2187
- CTK4F8302
- NSC104978
- p,p'-Isopropylidendiphenylenbis(p-toluolsulfonat)
- propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate)
- DTXSID70295724
- 2665-65-8
- SCHEMBL3841628
- NSC-104978
-
- Inchi： 1S/C29H28O6S2/c1-21-5-17-27(18-6-21)36(30,31)34-25-13-9-23(10-14-25)29(3,4)24-11-15-26(16-12-24)35-37(32,33)28-19-7-22(2)8-20-28/h5-20H,1-4H3
- InChI Key： UVLFPHLKARGVHX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OC1C=CC(=CC=1)C(C)(C)C1C=CC(=CC=1)OS(C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 536.13284
- Monoisotopic Mass: 536.13273096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 37
- Rotatable Bond Count: 8
- Complexity: 840
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.6
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 86.74
Phenol,4,4'-(1-methylethylidene)bis-, 1,1'-bis(4-methylbenzenesulfonate) Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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