SODIUM HEXADECENESULPHONATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key MVHWMCQWFWUXEE-UHFFFAOYSA-M
Smiles [Na+].O=S(=O)([O-])C=CCCCCCCCCCCCCCC
InChI
InChI=1/C16H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h15-16H,2-14H2,1H3,(H,17,18,19);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32O3S
Molecular Weight 326.19
AlogP 2.14
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 14.0
Polar Surface Area 57.2
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 11067-19-9
NORMAN SUSDAT
PubChem 107566
CONTENTS