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89296-15-1 | Benzene, 1,1'-[oxybis(methylenesulfonyl)]bis[2,5-dimethyl-
CAS No: 89296-15-1 Catalog No: AG0040WL MDL No:
Product Description
Catalog Number:
AG0040WL
Chemical Name:
Benzene, 1,1'-[oxybis(methylenesulfonyl)]bis[2,5-dimethyl-
CAS Number:
89296-15-1
Molecular Formula:
C18H22O5S2
Molecular Weight:
382.4943
IUPAC Name:
2-[(2,5-dimethylphenyl)sulfonylmethoxymethylsulfonyl]-1,4-dimethylbenzene
InChI:
InChI=1S/C18H22O5S2/c1-13-5-7-15(3)17(9-13)24(19,20)11-23-12-25(21,22)18-10-14(2)6-8-16(18)4/h5-10H,11-12H2,1-4H3
InChI Key:
STUHQJPAJGIWDC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)COCS(=O)(=O)c1cc(C)ccc1C)C
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.489g/mol
Monoisotopic Mass:
382.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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