(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-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 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-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(S3)C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(S3)C=CC(=C4)F)[N+](=O)[O-]

InChI

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