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113962-69-9 | Benzenesulfonic acid, 2,3,4-tris(octyloxy)-
CAS No: 113962-69-9 Catalog No: AG000A5W MDL No:
Product Description
Catalog Number:
AG000A5W
Chemical Name:
Benzenesulfonic acid, 2,3,4-tris(octyloxy)-
CAS Number:
113962-69-9
Molecular Formula:
C30H54O6S
Molecular Weight:
542.8112
IUPAC Name:
2,3,4-trioctoxybenzenesulfonic acid
InChI:
InChI=1S/C30H54O6S/c1-4-7-10-13-16-19-24-34-27-22-23-28(37(31,32)33)30(36-26-21-18-15-12-9-6-3)29(27)35-25-20-17-14-11-8-5-2/h22-23H,4-21,24-26H2,1-3H3,(H,31,32,33)
InChI Key:
ZPHOHXUOBAEBOR-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1OCCCCCCCC)OCCCCCCCC)S(=O)(=O)O
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.364g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
542.816g/mol
Monoisotopic Mass:
542.364g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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