methyl 3-[3-bromanyl-4-fluoranyl-2-(3-oxidanylpropyl)phenyl]sulfonyloctanoate

Systemtic Name: methyl 3-[3-bromanyl-4-fluoranyl-2-(3-oxidanylpropyl)phenyl]sulfonyloctanoate Openeye Name: methyl 3-[3-bromo-4-fluoro-2-(3-hydroxypropyl)phenyl]sulfonyloctanoate CAS Name: 3-[3-bromo-4-fluoro-2-(3-hydroxypropyl)phenyl]sulfonyloctanoic acid methyl ester IUPAC Name: methyl 3-[3-bromo-4-fluoro-2-(3-hydroxypropyl)phenyl]sulfonyloctanoate Traditional Name: 3-[3-bromo-4-fluoro-2-(3-hydroxypropyl)phenyl]sulfonylcaprylic acid methyl ester Formula: C18H26BrFO5S MolecularWeight: 453.363443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OC)S(=O)(=O)C1=C(C(=C(C=C1)F)Br)CCCO

Isomeric SMILES

CCCCCC(CC(=O)OC)S(=O)(=O)C1=C(C(=C(C=C1)F)Br)CCCO

InChI

InChI=1S/C18H26BrFO5S/c1-3-4-5-7-13(12-17(22)25-2)26(23,24)16-10-9-15(20)18(19)14(16)8-6-11-21/h9-10,13,21H,3-8,11-12H2,1-2H3