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100780-27-6 | Benzene, 1,1'-[[1-(2-propyn-1-yl)-3-buten-1-ylidene]bis(sulfonyl)]bis-
CAS No: 100780-27-6 Catalog No: AG0002V9 MDL No:
Product Description
Catalog Number:
AG0002V9
Chemical Name:
Benzene, 1,1'-[[1-(2-propyn-1-yl)-3-buten-1-ylidene]bis(sulfonyl)]bis-
CAS Number:
100780-27-6
Molecular Formula:
C19H18O4S2
Molecular Weight:
374.4738
IUPAC Name:
4-(benzenesulfonyl)hept-1-en-6-yn-4-ylsulfonylbenzene
InChI:
InChI=1S/C19H18O4S2/c1-3-15-19(16-4-2,24(20,21)17-11-7-5-8-12-17)25(22,23)18-13-9-6-10-14-18/h1,4-14H,2,15-16H2
InChI Key:
SAPUKWSJSHPWTR-UHFFFAOYSA-N
SMILES:
C=CCC(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)CC#C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.065g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.469g/mol
Monoisotopic Mass:
374.065g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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