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Home > Other Heterocycles > 88132-62-1
88132-62-1 | Bicyclo[3.1.1]hept-2-ene, 2-[2,3-bis(phenylsulfonyl)propyl]-
CAS No: 88132-62-1 Catalog No: AG004DIM MDL No:
Product Description
Catalog Number:
AG004DIM
Chemical Name:
Bicyclo[3.1.1]hept-2-ene, 2-[2,3-bis(phenylsulfonyl)propyl]-
CAS Number:
88132-62-1
Molecular Formula:
C22H24O4S2
Molecular Weight:
416.5536
IUPAC Name:
2-[2,3-bis(benzenesulfonyl)propyl]bicyclo[3.1.1]hept-2-ene
InChI:
InChI=1S/C22H24O4S2/c23-27(24,20-7-3-1-4-8-20)16-22(15-18-12-11-17-13-19(18)14-17)28(25,26)21-9-5-2-6-10-21/h1-10,12,17,19,22H,11,13-16H2
InChI Key:
XGUOOLFIQQLQEU-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)CC(S(=O)(=O)c1ccccc1)CC1=CCC2CC1C2
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.112g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.55g/mol
Monoisotopic Mass:
416.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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