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29152-54-3 | Benzenesulfonic acid, didodecyl-, barium salt (8CI,9CI)
CAS No: 29152-54-3 Catalog No: AG002XI5 MDL No:
Product Description
Catalog Number:
AG002XI5
Chemical Name:
Benzenesulfonic acid, didodecyl-, barium salt (8CI,9CI)
CAS Number:
29152-54-3
Molecular Formula:
C60H106BaO6S2
Molecular Weight:
1124.9370
IUPAC Name:
barium(2+);2,3-didodecylbenzenesulfonate
InChI:
InChI=1S/2C30H54O3S.Ba/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;;+2/p-2
InChI Key:
XKPXIMKPDMUIDN-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].[Ba+2]
EC Number:
249-473-7
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1124.648g/mol
Formal Charge:
0
Heavy Atom Count:
69
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1124.949g/mol
Monoisotopic Mass:
1124.648g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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