methyl 2-(6-fluoranyl-7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)-4-methyl-benzenesulfonate

Systemtic Name: methyl 2-(6-fluoranyl-7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)-4-methyl-benzenesulfonate Openeye Name: methyl 2-(6-fluoro-7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)-4-methyl-benzenesulfonate CAS Name: 2-(6-fluoro-7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)-4-methylbenzenesulfonic acid methyl ester IUPAC Name: methyl 2-(6-fluoro-7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)-4-methylbenzenesulfonate Traditional Name: 2-(6-fluoro-7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)-4-methyl-benzenesulfonic acid methyl ester Formula: C16H14FNO7S MolecularWeight: 383.348263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC)C2COC3=C(O2)C=C(C(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC)C2COC3=C(O2)C=C(C(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14FNO7S/c1-9-3-4-16(26(21,22)23-2)10(5-9)15-8-24-13-6-11(17)12(18(19)20)7-14(13)25-15/h3-7,15H,8H2,1-2H3