2-(4-octylphenoxy)ethanesulfonic acid

Systemtic Name: 2-(4-octylphenoxy)ethanesulfonic acid Openeye Name: 2-(4-octylphenoxy)ethanesulfonic acid CAS Name: 2-(4-octylphenoxy)ethanesulfonic acid IUPAC Name: 2-(4-octylphenoxy)ethanesulfonic acid Traditional Name: 2-(4-octylphenoxy)ethanesulfonic acid Formula: C16H26O4S MolecularWeight: 314.44024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O4S/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-13-14-21(17,18)19/h9-12H,2-8,13-14H2,1H3,(H,17,18,19)