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88416-49-3 | Benzene, hexakis(tridecylsulfonyl)-
CAS No: 88416-49-3 Catalog No: AG004KN5 MDL No:
Product Description
Catalog Number:
AG004KN5
Chemical Name:
Benzene, hexakis(tridecylsulfonyl)-
CAS Number:
88416-49-3
Molecular Formula:
C84H162O12S6
Molecular Weight:
1556.5679
IUPAC Name:
1,2,3,4,5,6-hexakis(tridecylsulfonyl)benzene
InChI:
InChI=1S/C84H162O12S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-97(85,86)79-80(98(87,88)74-68-62-56-50-44-38-32-26-20-14-8-2)82(100(91,92)76-70-64-58-52-46-40-34-28-22-16-10-4)84(102(95,96)78-72-66-60-54-48-42-36-30-24-18-12-6)83(101(93,94)77-71-65-59-53-47-41-35-29-23-17-11-5)81(79)99(89,90)75-69-63-57-51-45-39-33-27-21-15-9-3/h7-78H2,1-6H3
InChI Key:
CEHROPVOOAXQFR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCS(=O)(=O)c1c(c(c(c(c1S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC
Properties
Complexity:
2120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1555.039g/mol
Formal Charge:
0
Heavy Atom Count:
102
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1556.568g/mol
Monoisotopic Mass:
1555.039g/mol
Rotatable Bond Count:
78
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
34.1
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