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25080-09-5 | Ethanesulfonic acid, 2-[(1-oxooctadecyl)amino]-, sodium salt (1:1)
CAS No: 25080-09-5 Catalog No: AG002QFG MDL No:
Product Description
Catalog Number:
AG002QFG
Chemical Name:
Ethanesulfonic acid, 2-[(1-oxooctadecyl)amino]-, sodium salt (1:1)
CAS Number:
25080-09-5
Molecular Formula:
C20H40NNaO4S
Molecular Weight:
413.5907
IUPAC Name:
sodium;2-(octadecanoylamino)ethanesulfonate
InChI:
InChI=1S/C20H41NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25;/h2-19H2,1H3,(H,21,22)(H,23,24,25);/q;+1/p-1
InChI Key:
QMJPYGADZSEASQ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-].[Na+]
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.258g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.593g/mol
Monoisotopic Mass:
413.258g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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