LITHIUM TERT-BUTYLNAPHTHALENESULPHONATE

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

Structure

InChI Key KGNJKFZYGXNHIP-UHFFFAOYSA-M
Smiles [Li+].O=S(=O)([O-])C=1C=2C=CC=CC2C=CC1C(C)(C)C
InChI
InChI=1/C14H16O3S.Li/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)18(15,16)17;/h4-9H,1-3H3,(H,15,16,17);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H16O3S
Molecular Weight 270.09
AlogP 0.05
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 57.2
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 93940-56-8
NORMAN SUSDAT
PubChem 3022982
CONTENTS