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77918-08-2 | Ethanol, 2,2'-oxybis-,dibenzenesulfonate (9CI)
CAS No: 77918-08-2 Catalog No: AG0056IX MDL No:
Product Description
Catalog Number:
AG0056IX
Chemical Name:
Ethanol, 2,2'-oxybis-,dibenzenesulfonate (9CI)
CAS Number:
77918-08-2
Molecular Formula:
C16H18O7S2
Molecular Weight:
386.4399
IUPAC Name:
2-[2-(benzenesulfonyloxy)ethoxy]ethyl benzenesulfonate
InChI:
InChI=1S/C16H18O7S2/c17-24(18,15-7-3-1-4-8-15)22-13-11-21-12-14-23-25(19,20)16-9-5-2-6-10-16/h1-10H,11-14H2
InChI Key:
PMHQHOMDFWRZNL-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)OCCOCCOS(=O)(=O)c1ccccc1
NSC Number:
2857
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.049g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.433g/mol
Monoisotopic Mass:
386.049g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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