1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;/h11-13,15-16H,2-10,14,17H2,1H3;

2.1.2 InChI Key

GVGUFUZHNYFZLC-UHFFFAOYSA-N

2.1.3 Canonical SMILES

CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.[Na]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl27413

2. Sodium Dodecyl Benzenesulphonate

3. Sodium Dodecylbenzene Sulphonate

4. Sodium N-dodecylbenzenesulfonate

5. Sodium N-dode Cylbenzenesulfonate

6. Sodium N-dodecylbenzene-sulfonate

7. A817670

2.3 Create Date

2012-07-12

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₀NaO₃S
Molecular Weight	349.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	13
Exact Mass	349.18133527 g/mol
Monoisotopic Mass	349.18133527 g/mol
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	340
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	2

Sodium Dodecylbenzenesulphonate

Sodium Dodecylbenzenesulphonate

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