1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;4-dodecoxy-4-oxo-3-sulfobutanoate

2.1.2 InChI

InChI=1S/2C16H30O7S.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-23-16(19)14(13-15(17)18)24(20,21)22;;/h2*14H,2-13H2,1H3,(H,17,18)(H,20,21,22);;/q;;2*+1/p-2

2.1.3 InChI Key

KHIQYZGEUSTKSB-UHFFFAOYSA-L

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Disodium Lauryl Sulfosuccinate

2.3 Create Date

2011-10-30

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₅₈Na₂O₁₄S₂
Molecular Weight	776.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	30
Exact Mass	776.30633743 g/mol
Monoisotopic Mass	776.30633743 g/mol
Topological Polar Surface Area	258 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	448
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4

Disodium Lauryl Sulfosuccinate