1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;hexadecyl sulfate;octadecyl sulfate

2.1.2 InChI

InChI=1S/C18H38O4S.C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-18H2,1H3,(H,19,20,21);2-16H2,1H3,(H,17,18,19);/q;;+1/p-2

2.1.3 InChI Key

CLBALUNQCMWJSU-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Sodium Cetostearyl Sulfate [nf]

2. Sodium;hexadecyl Sulfate;octadecyl Sulfate

3. Dehydag Wax E

4. Unii-7zbs06bh4b

5. Sulfuric Acid, Monooctadecyl Ester, Sodium Salt, Mixt. With Sodium Hexadecyl Sulfate

6. 7zbs06bh4b

7. Dtxsid90207925

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₇₀NaO₈S₂-
Molecular Weight	694.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	32
Exact Mass	693.44098082 g/mol
Monoisotopic Mass	693.44098082 g/mol
Topological Polar Surface Area	150 Å²
Heavy Atom Count	45
Formal Charge	-1
Complexity	592
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Dehydag Wax E

Dehydag Wax E

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