(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H12FNO6S MolecularWeight: 389.354383

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=CC=C4S3)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=CC=C4S3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12FNO6S/c19-14-2-1-3-15-13(14)6-16(27-15)18(21)25-8-11-5-12(20(22)23)4-10-7-24-9-26-17(10)11/h1-6H,7-9H2