Home Carboxys Tetraundecyl benzophenone-3,3',4,4'-tetracarboxylate

Tetraundecyl benzophenone-3,3',4,4'-tetracarboxylate

CAS No.:
103225-03-2
Catalog Number:
AG0085XM
Molecular Formula:
C61H98O9
Molecular Weight:
975.4254
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Product Description
Catalog Number:
AG0085XM
Chemical Name:
Tetraundecyl benzophenone-3,3',4,4'-tetracarboxylate
CAS Number:
103225-03-2
Molecular Formula:
C61H98O9
Molecular Weight:
975.4254
MDL Number:
MFCD00077913
IUPAC Name:
diundecyl 4-[3,4-bis(undecoxycarbonyl)benzoyl]benzene-1,2-dicarboxylate
InChI:
InChI=1S/C61H98O9/c1-5-9-13-17-21-25-29-33-37-45-67-58(63)53-43-41-51(49-55(53)60(65)69-47-39-35-31-27-23-19-15-11-7-3)57(62)52-42-44-54(59(64)68-46-38-34-30-26-22-18-14-10-6-2)56(50-52)61(66)70-48-40-36-32-28-24-20-16-12-8-4/h41-44,49-50H,5-40,45-48H2,1-4H3
InChI Key:
HEKBQVNDMMNDMI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCCCC)C(=O)c1ccc(c(c1)C(=O)OCCCCCCCCCCC)C(=O)OCCCCCCCCCCC
Properties
Complexity:
1220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
974.721g/mol
Formal Charge:
0
Heavy Atom Count:
70  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
975.446g/mol
Monoisotopic Mass:
974.721g/mol
Rotatable Bond Count:
50  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
22.8  
Properties