SODIUM ALKYL NAPHTHALENESULFONATES

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key MRIOWYUNDFDYOT-UHFFFAOYSA-N
Smiles [Na].CC(C)c1c2ccccc2ccc1[S](O)(=O)=O
InChI
InChI=1S/C13H14O3S/c1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)17(14,15)16/h3-9H,1-2H3,(H,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14O3S1
Molecular Weight 250.07
AlogP 3.21
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 54.37
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 7403-47-6
NORMAN SUSDAT
CONTENTS