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potassium 2-octadecan-9-ylbenzenesulfonate

potassium 2-octadecan-9-ylbenzenesulfonate

Systemtic Name:potassium 2-octadecan-9-ylbenzenesulfonate
Openeye Name:potassium 2-(1-octyldecyl)benzenesulfonate
CAS Name:potassium 2-octadecan-9-ylbenzenesulfonate
IUPAC Name:potassium 2-octadecan-9-ylbenzenesulfonate
Traditional Name:potassium 2-(1-octyldecyl)besylate
Formula: C24H41KO3S
MolecularWeight: 448.74384
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)C1=CC=CC=C1S(=O)(=O)[O-].[K+]


Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)C1=CC=CC=C1S(=O)(=O)[O-].[K+]


InChI

InChI=1S/C24H42O3S.K/c1-3-5-7-9-11-13-15-19-22(18-14-12-10-8-6-4-2)23-20-16-17-21-24(23)28(25,26)27;/h16-17,20-22H,3-15,18-19H2,1-2H3,(H,25,26,27);/q;+1/p-1


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