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182081-91-0 | Benzene, 1,1'-[1-octen-3-ynylidenebis(sulfonyl)]bis- (9CI)
CAS No: 182081-91-0 Catalog No: AG0023CE MDL No:
Product Description
Catalog Number:
AG0023CE
Chemical Name:
Benzene, 1,1'-[1-octen-3-ynylidenebis(sulfonyl)]bis- (9CI)
CAS Number:
182081-91-0
Molecular Formula:
C20H20O4S2
Molecular Weight:
388.5004
IUPAC Name:
1-(benzenesulfonyl)oct-1-en-3-ynylsulfonylbenzene
InChI:
InChI=1S/C20H20O4S2/c1-2-3-4-5-12-17-20(25(21,22)18-13-8-6-9-14-18)26(23,24)19-15-10-7-11-16-19/h6-11,13-17H,2-4H2,1H3
InChI Key:
YBZBUNXGUKVAGB-UHFFFAOYSA-N
SMILES:
CCCCC#CC=C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.08g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.496g/mol
Monoisotopic Mass:
388.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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