3-(4-hexadecylphenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(4-hexadecylphenoxy)propane-1-sulfonic acid Openeye Name: 3-(4-hexadecylphenoxy)propane-1-sulfonic acid CAS Name: 3-(4-hexadecylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-hexadecylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-cetylphenoxy)propane-1-sulfonic acid Formula: C25H44O4S MolecularWeight: 440.67946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)OCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)OCCCS(=O)(=O)O

InChI

InChI=1S/C25H44O4S/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)