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

Systemtic Name: 3-(4-octylphenoxy)propane-1-sulfonic acid Openeye Name: 3-(4-octylphenoxy)propane-1-sulfonic acid CAS Name: 3-(4-octylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-octylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-octylphenoxy)propane-1-sulfonic acid Formula: C17H28O4S MolecularWeight: 328.46682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCCCS(=O)(=O)O

InChI

InChI=1S/C17H28O4S/c1-2-3-4-5-6-7-9-16-10-12-17(13-11-16)21-14-8-15-22(18,19)20/h10-13H,2-9,14-15H2,1H3,(H,18,19,20)