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116450-34-1 | 2H-1-Benzopyran-2-one, 3,3'-sulfonylbis[7-(diethylamino)-
CAS No: 116450-34-1 Catalog No: AG000CJK MDL No:
Product Description
Catalog Number:
AG000CJK
Chemical Name:
2H-1-Benzopyran-2-one, 3,3'-sulfonylbis[7-(diethylamino)-
CAS Number:
116450-34-1
Molecular Formula:
C26H28N2O6S
Molecular Weight:
496.5753
IUPAC Name:
7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]sulfonylchromen-2-one
InChI:
InChI=1S/C26H28N2O6S/c1-5-27(6-2)19-11-9-17-13-23(25(29)33-21(17)15-19)35(31,32)24-14-18-10-12-20(28(7-3)8-4)16-22(18)34-26(24)30/h9-16H,5-8H2,1-4H3
InChI Key:
UMZNCSLIUUEYLW-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2)S(=O)(=O)c1cc2ccc(cc2oc1=O)N(CC)CC)CC
Properties
Complexity:
904
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.167g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
496.578g/mol
Monoisotopic Mass:
496.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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