S-(2,3-dinitrooxypropyl) 2-[3-(phenylcarbonyl)phenyl]propanethioate

Systemtic Name: S-(2,3-dinitrooxypropyl) 2-[3-(phenylcarbonyl)phenyl]propanethioate Openeye Name: S-(2,3-dinitrooxypropyl) 2-(3-benzoylphenyl)propanethioate CAS Name: 2-(3-benzoylphenyl)propanethioic acid S-(2,3-dinitrooxypropyl) ester IUPAC Name: S-(2,3-dinitrooxypropyl) 2-(3-benzoylphenyl)propanethioate Traditional Name: 2-(3-benzoylphenyl)propanethioic acid S-(2,3-dinitrooxypropyl) ester Formula: C19H18N2O8S MolecularWeight: 434.41982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O8S/c1-13(19(23)30-12-17(29-21(26)27)11-28-20(24)25)15-8-5-9-16(10-15)18(22)14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3