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2673-22-5 | Sodium Ditridecyl Sulfosuccinate
CAS No: 2673-22-5 Catalog No: AG0039B3 MDL No:MFCD00047784
Product Description
Catalog Number:
AG0039B3
Chemical Name:
Sodium Ditridecyl Sulfosuccinate
CAS Number:
2673-22-5
Molecular Formula:
C30H57NaO7S
Molecular Weight:
584.8241
MDL Number:
MFCD00047784
IUPAC Name:
sodium;1,4-dioxo-1,4-di(tridecoxy)butane-2-sulfonate
InChI:
InChI=1S/C30H58O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+1/p-1
InChI Key:
YWQIGRBJQMNGSN-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCCCCCCCCCCCC.[Na+]
EC Number:
220-219-7
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.372g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
584.829g/mol
Monoisotopic Mass:
584.372g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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