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24614-51-5 | Butanedioic acid, 2-sulfo-, 4-octadecyl ester, sodium salt (1:2)
CAS No: 24614-51-5 Catalog No: AG002OSP MDL No:
Product Description
Catalog Number:
AG002OSP
Chemical Name:
Butanedioic acid, 2-sulfo-, 4-octadecyl ester, sodium salt (1:2)
CAS Number:
24614-51-5
Molecular Formula:
C22H41Na2O7S+
Molecular Weight:
495.6013
IUPAC Name:
disodium;4-octadecoxy-4-oxo-2-sulfonatobutanoate
InChI:
InChI=1S/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2
InChI Key:
GIBLJHXLTNHSEO-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCCCCC(OC(=O)C(S(=O)(=O)O)CC(=O)[O-])CCC.[Na+].[Na+]
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.229g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.595g/mol
Monoisotopic Mass:
494.229g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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