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182568-57-6 | [1,1'-Binaphthalene]-2,2'-diol, 2,2'-dimethanesulfonate
CAS No: 182568-57-6 Catalog No: AG0023YZ MDL No:
Product Description
Catalog Number:
AG0023YZ
Chemical Name:
[1,1'-Binaphthalene]-2,2'-diol, 2,2'-dimethanesulfonate
CAS Number:
182568-57-6
Molecular Formula:
C22H18O6S2
Molecular Weight:
442.5047
IUPAC Name:
[1-(2-methylsulfonyloxynaphthalen-1-yl)naphthalen-2-yl] methanesulfonate
InChI:
InChI=1S/C22H18O6S2/c1-29(23,24)27-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)28-30(2,25)26/h3-14H,1-2H3
InChI Key:
JQEOOLQENOFUCF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Oc1ccc2c(c1c1c(ccc3c1cccc3)OS(=O)(=O)C)cccc2
Properties
Complexity:
729
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.054g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.5g/mol
Monoisotopic Mass:
442.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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