methyl 2-[5-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-2-nitro-phenoxy]propanoate

Systemtic Name: methyl 2-[5-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-2-nitro-phenoxy]propanoate Openeye Name: methyl 2-[5-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanyl-2-nitro-phenoxy]propanoate CAS Name: 2-[5-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenyl]thio]-2-nitrophenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[5-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-2-nitrophenoxy]propanoate Traditional Name: 2-[5-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]thio]-2-nitro-phenoxy]propionic acid methyl ester Formula: C22H24FNO7S MolecularWeight: 465.491863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1=C(C=CC(=C1)SC2=CC(=CC(=C2)F)C3(CCOCC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)OC1=C(C=CC(=C1)SC2=CC(=CC(=C2)F)C3(CCOCC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24FNO7S/c1-14(21(25)28-2)31-20-13-17(4-5-19(20)24(26)27)32-18-11-15(10-16(23)12-18)22(29-3)6-8-30-9-7-22/h4-5,10-14H,6-9H2,1-3H3