(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H14FNO6S MolecularWeight: 379.359563

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C17H14FNO6S/c18-14-3-1-2-4-15(14)26-9-16(20)24-8-12-6-13(19(21)22)5-11-7-23-10-25-17(11)12/h1-6H,7-10H2