[2-[2-(2-nitrooxyethyldisulfanyl)ethoxy]-2-oxidanylidene-ethyl] 2-(3-fluoranyl-4-phenyl-phenyl)propanoate

Systemtic Name: [2-[2-(2-nitrooxyethyldisulfanyl)ethoxy]-2-oxidanylidene-ethyl] 2-(3-fluoranyl-4-phenyl-phenyl)propanoate Openeye Name: [2-[2-(2-nitrooxyethyldisulfanyl)ethoxy]-2-oxo-ethyl] 2-(3-fluoro-4-phenyl-phenyl)propanoate CAS Name: 2-(3-fluoro-4-phenylphenyl)propanoic acid [2-[2-(2-nitrooxyethyldisulfanyl)ethoxy]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-nitrooxyethyldisulfanyl)ethoxy]-2-oxoethyl] 2-(3-fluoro-4-phenylphenyl)propanoate Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)propionic acid [2-keto-2-[2-(2-nitrooxyethyldisulfanyl)ethoxy]ethyl] ester Formula: C21H22FNO7S2 MolecularWeight: 483.530283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OCC(=O)OCCSSCCO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OCC(=O)OCCSSCCO[N+](=O)[O-]

InChI

InChI=1S/C21H22FNO7S2/c1-15(17-7-8-18(19(22)13-17)16-5-3-2-4-6-16)21(25)29-14-20(24)28-9-11-31-32-12-10-30-23(26)27/h2-8,13,15H,9-12,14H2,1H3