potassium 3-(4-hexadecylphenoxy)propane-1-sulfonate

Systemtic Name: potassium 3-(4-hexadecylphenoxy)propane-1-sulfonate Openeye Name: potassium 3-(4-hexadecylphenoxy)propane-1-sulfonate CAS Name: potassium 3-(4-hexadecylphenoxy)-1-propanesulfonate IUPAC Name: potassium 3-(4-hexadecylphenoxy)propane-1-sulfonate Traditional Name: potassium 3-(4-cetylphenoxy)propane-1-sulfonate Formula: C25H43KO4S MolecularWeight: 478.76982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)OCCCS(=O)(=O)[O-].[K+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)OCCCS(=O)(=O)[O-].[K+]

InChI

InChI=1S/C25H44O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-20-25(21-19-24)29-22-16-23-30(26,27)28;/h18-21H,2-17,22-23H2,1H3,(H,26,27,28);/q;+1/p-1