3-phenylpropyl 5-fluoranyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonate

Systemtic Name: 3-phenylpropyl 5-fluoranyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonate Openeye Name: 3-phenylpropyl 5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonate CAS Name: 5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonate Traditional Name: 5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonic acid 3-phenylpropyl ester Formula: C22H29FO7S MolecularWeight: 456.524863

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOCCOC1=C(C=C(C=C1)F)S(=O)(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COCCOCCOCCOC1=C(C=C(C=C1)F)S(=O)(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H29FO7S/c1-26-12-13-27-14-15-28-16-17-29-21-10-9-20(23)18-22(21)31(24,25)30-11-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3