3-(4-fluoranylphenoxy)propyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 3-(4-fluorophenoxy)propyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 3-(4-fluorophenoxy)propyl ester Formula: C17H16FNO7S MolecularWeight: 397.374843

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16FNO7S/c1-27(23,24)16-8-3-12(11-15(16)19(21)22)17(20)26-10-2-9-25-14-6-4-13(18)5-7-14/h3-8,11H,2,9-10H2,1H3