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2540-99-0 | 5,5'-Sulfonylbis(isobenzofuran-1,3-dione)
CAS No: 2540-99-0 Catalog No: AG003IC0 MDL No:MFCD00039145
Product Description
Catalog Number:
AG003IC0
Chemical Name:
5,5'-Sulfonylbis(isobenzofuran-1,3-dione)
CAS Number:
2540-99-0
Molecular Formula:
C16H6O8S
Molecular Weight:
358.2790
MDL Number:
MFCD00039145
IUPAC Name:
5-[(1,3-dioxo-2-benzofuran-5-yl)sulfonyl]-2-benzofuran-1,3-dione
InChI:
InChI=1S/C16H6O8S/c17-13-9-3-1-7(5-11(9)15(19)23-13)25(21,22)8-2-4-10-12(6-8)16(20)24-14(10)18/h1-6H
InChI Key:
ZHBXLZQQVCDGPA-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(cc2)S(=O)(=O)c1ccc2c(c1)C(=O)OC2=O
EC Number:
807-101-6
NSC Number:
689416
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.978g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.276g/mol
Monoisotopic Mass:
357.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Diarylsulfones, a novel class of human immunodeficiency virus type 1 integrase inhibitors. | Antimicrobial agents and chemotherapy 19970201 |
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