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84306-68-3 | Ethanedione, 1,1'-(1,3-phenylene)bis[2-[4-(phenylthio)phenyl]-
CAS No: 84306-68-3 Catalog No: AG0056NT MDL No:
Product Description
Catalog Number:
AG0056NT
Chemical Name:
Ethanedione, 1,1'-(1,3-phenylene)bis[2-[4-(phenylthio)phenyl]-
CAS Number:
84306-68-3
Molecular Formula:
C34H22O4S2
Molecular Weight:
558.6661
IUPAC Name:
1-[3-[2-oxo-2-(4-phenylsulfanylphenyl)acetyl]phenyl]-2-(4-phenylsulfanylphenyl)ethane-1,2-dione
InChI:
InChI=1S/C34H22O4S2/c35-31(23-14-18-29(19-15-23)39-27-10-3-1-4-11-27)33(37)25-8-7-9-26(22-25)34(38)32(36)24-16-20-30(21-17-24)40-28-12-5-2-6-13-28/h1-22H
InChI Key:
SCWFNGSGZIWJHK-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccc(cc1)Sc1ccccc1)c1cccc(c1)C(=O)C(=O)c1ccc(cc1)Sc1ccccc1
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.096g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.666g/mol
Monoisotopic Mass:
558.096g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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