cyclohexyl 4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-benzoate

Systemtic Name: cyclohexyl 4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-benzoate Openeye Name: cyclohexyl 4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-benzoate CAS Name: 4-[(2-fluorophenyl)methylthio]-3-nitrobenzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(2-fluorophenyl)methylsulfanyl]-3-nitrobenzoate Traditional Name: 4-[(2-fluorobenzyl)thio]-3-nitro-benzoic acid cyclohexyl ester Formula: C20H20FNO4S MolecularWeight: 389.440503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FNO4S/c21-17-9-5-4-6-15(17)13-27-19-11-10-14(12-18(19)22(24)25)20(23)26-16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13H2