S-(2,3-dinitrooxypropyl) 2-(3-phenoxyphenyl)propanethioate

Systemtic Name: S-(2,3-dinitrooxypropyl) 2-(3-phenoxyphenyl)propanethioate Openeye Name: S-(2,3-dinitrooxypropyl) 2-(3-phenoxyphenyl)propanethioate CAS Name: 2-(3-phenoxyphenyl)propanethioic acid S-(2,3-dinitrooxypropyl) ester IUPAC Name: S-(2,3-dinitrooxypropyl) 2-(3-phenoxyphenyl)propanethioate Traditional Name: 2-(3-phenoxyphenyl)propanethioic acid S-(2,3-dinitrooxypropyl) ester Formula: C18H18N2O8S MolecularWeight: 422.40912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O8S/c1-13(18(21)29-12-17(28-20(24)25)11-26-19(22)23)14-6-5-9-16(10-14)27-15-7-3-2-4-8-15/h2-10,13,17H,11-12H2,1H3