1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;4-(2-dodecoxyethoxy)-4-oxo-2-sulfonatobutanoate

2.1.2 InChI

InChI=1S/C18H34O8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-17(19)15-16(18(20)21)27(22,23)24;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2

2.1.3 InChI Key

ZZTKVOKJMCZYBC-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CCCCCCCCCCCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 39354-45-5

2. 94108-10-8

3. Einecs 302-348-1

4. Alt(70%)

5. Schembl674038

6. Polyethylene Glycol Lauryl Ether Disodium Sulfosuccinate

7. 4-(2-dodecoxyethoxy)-4-oxo-2-sulfonatobutanoate Disodium

8. Dtxsid20873839

9. Disodium 4-[2-(dodecyloxy)ethoxy]-4-oxo-2-sulfonatobutanoate

10. 2-(sodiooxysulfonyl)butanedioic Acid 1-sodium 4-[2-(dodecyloxy)ethyl] Ester Salt

11. Poly(oxy-1,2-ethanediyl),a-(3-carboxy-1-oxo-3-sulfopropyl)-w-(dodecyloxy)-, Sodium Salt (1:2)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₂Na₂O₈S
Molecular Weight	454.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	17
Exact Mass	454.16132771 g/mol
Monoisotopic Mass	454.16132771 g/mol
Topological Polar Surface Area	141 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Aerosol A 102