Cas no 59727-31-0 (Ethanedione, bis[4-[4-(oxophenylacetyl)phenoxy]phenyl]-)
59727-31-0 structure
Product Name:Ethanedione, bis[4-[4-(oxophenylacetyl)phenoxy]phenyl]-
CAS No:59727-31-0
MF:C42H26O8
MW:658.651051998138
CID:337476
PubChem ID:57983632
Update Time:2025-04-19
Ethanedione, bis[4-[4-(oxophenylacetyl)phenoxy]phenyl]- Chemical and Physical Properties
Names and Identifiers
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- Ethanedione, bis[4-[4-(oxophenylacetyl)phenoxy]phenyl]-
- 1-[4-[4-[2-oxo-2-[4-[4-(2-oxo-2-phenylacetyl)phenoxy]phenyl]acetyl]phenoxy]phenyl]-2-phenylethane-1,2-dione
- 2,2'-(((Oxalylbis(4,1-phenylene))bis(oxy))bis(4,1-phenylene))bis(1-phenylethane-1,2-dione)
- 1,1'-{(1,2-Dioxoethane-1,2-diyl)bis[(4,1-phenylene)oxy-4,1-phenylene]}bis(phenylethane-1,2-dione)
- SCHEMBL13567254
- DTXSID80728558
- 59727-31-0
-
- Inchi: 1S/C42H26O8/c43-37(27-7-3-1-4-8-27)39(45)29-11-19-33(20-12-29)49-35-23-15-31(16-24-35)41(47)42(48)32-17-25-36(26-18-32)50-34-21-13-30(14-22-34)40(46)38(44)28-9-5-2-6-10-28/h1-26H
- InChI Key: SMLPQHVACIVQFK-UHFFFAOYSA-N
- SMILES: O(C1C=CC(C(C(C2C=CC=CC=2)=O)=O)=CC=1)C1C=CC(=CC=1)C(C(C1C=CC(=CC=1)OC1C=CC(C(C(C2C=CC=CC=2)=O)=O)=CC=1)=O)=O
Computed Properties
- Exact Mass: 658.16278
- Monoisotopic Mass: 658.16276778g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 50
- Rotatable Bond Count: 13
- Complexity: 1100
- 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: 7.9
- Topological Polar Surface Area: 121?2
Experimental Properties
- PSA: 120.88
Ethanedione, bis[4-[4-(oxophenylacetyl)phenoxy]phenyl]- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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