S-(2,3-dinitrooxypropyl) 2-(3-fluoranyl-4-phenyl-phenyl)propanethioate

Systemtic Name: S-(2,3-dinitrooxypropyl) 2-(3-fluoranyl-4-phenyl-phenyl)propanethioate Openeye Name: S-(2,3-dinitrooxypropyl) 2-(3-fluoro-4-phenyl-phenyl)propanethioate CAS Name: 2-(3-fluoro-4-phenylphenyl)propanethioic acid S-(2,3-dinitrooxypropyl) ester IUPAC Name: S-(2,3-dinitrooxypropyl) 2-(3-fluoro-4-phenylphenyl)propanethioate Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)propanethioic acid S-(2,3-dinitrooxypropyl) ester Formula: C18H17FN2O7S MolecularWeight: 424.400183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O7S/c1-12(18(22)29-11-15(28-21(25)26)10-27-20(23)24)14-7-8-16(17(19)9-14)13-5-3-2-4-6-13/h2-9,12,15H,10-11H2,1H3