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29398-82-1 | Sulfonium, tris(2-hydroxyethyl)-, octadecanoate (1:1)
CAS No: 29398-82-1 Catalog No: AG002Y8X MDL No:
Product Description
Catalog Number:
AG002Y8X
Chemical Name:
Sulfonium, tris(2-hydroxyethyl)-, octadecanoate (1:1)
CAS Number:
29398-82-1
Molecular Formula:
C24H50O5S
Molecular Weight:
450.7158
IUPAC Name:
octadecanoate;tris(2-hydroxyethyl)sulfanium
InChI:
InChI=1S/C18H36O2.C6H15O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-1-4-10(5-2-8)6-3-9/h2-17H2,1H3,(H,19,20);7-9H,1-6H2/q;+1/p-1
InChI Key:
RLAAQIIKPXWKPU-UHFFFAOYSA-M
SMILES:
OCC[S+](CCO)CCO.CCCCCCCCCCCCCCCCCC(=O)[O-]
EC Number:
249-604-8
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.338g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
450.719g/mol
Monoisotopic Mass:
450.338g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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