ethyl 2-(2,2-dimethyl-3-nitrooxy-propanoyl)sulfanylbenzoate

Systemtic Name: ethyl 2-(2,2-dimethyl-3-nitrooxy-propanoyl)sulfanylbenzoate Openeye Name: ethyl 2-(2,2-dimethyl-3-nitrooxy-propanoyl)sulfanylbenzoate CAS Name: 2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 2-(2,2-dimethyl-3-nitrooxypropanoyl)sulfanylbenzoate Traditional Name: 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)thio]benzoic acid ethyl ester Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SC(=O)C(C)(C)CO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SC(=O)C(C)(C)CO[N+](=O)[O-]

InChI

InChI=1S/C14H17NO6S/c1-4-20-12(16)10-7-5-6-8-11(10)22-13(17)14(2,3)9-21-15(18)19/h5-8H,4,9H2,1-3H3