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191088-55-8 | Benzene, 1,2,3,4,5,6-hexakis(butylsulfonyl)-
CAS No: 191088-55-8 Catalog No: AG002F0L MDL No:
Product Description
Catalog Number:
AG002F0L
Chemical Name:
Benzene, 1,2,3,4,5,6-hexakis(butylsulfonyl)-
CAS Number:
191088-55-8
Molecular Formula:
C30H54O12S6
Molecular Weight:
799.1326
IUPAC Name:
1,2,3,4,5,6-hexakis(butylsulfonyl)benzene
InChI:
InChI=1S/C30H54O12S6/c1-7-13-19-43(31,32)25-26(44(33,34)20-14-8-2)28(46(37,38)22-16-10-4)30(48(41,42)24-18-12-6)29(47(39,40)23-17-11-5)27(25)45(35,36)21-15-9-3/h7-24H2,1-6H3
InChI Key:
PVQHATXTHHVJCM-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)c1c(c(c(c(c1S(=O)(=O)CCCC)S(=O)(=O)CCCC)S(=O)(=O)CCCC)S(=O)(=O)CCCC)S(=O)(=O)CCCC
Properties
Complexity:
1290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
798.194g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
799.11g/mol
Monoisotopic Mass:
798.194g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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