[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C18H16FNO7S MolecularWeight: 409.385543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16FNO7S/c1-28(25,26)17-9-6-13(11-15(17)20(23)24)18(22)27-10-2-3-16(21)12-4-7-14(19)8-5-12/h4-9,11H,2-3,10H2,1H3