[4-(nitrooxymethyl)phenyl] 2-ethanoylsulfanylbenzoate

Systemtic Name: [4-(nitrooxymethyl)phenyl] 2-ethanoylsulfanylbenzoate Openeye Name: [4-(nitrooxymethyl)phenyl] 2-acetylsulfanylbenzoate CAS Name: 2-(acetylthio)benzoic acid [4-(nitrooxymethyl)phenyl] ester IUPAC Name: [4-(nitrooxymethyl)phenyl] 2-acetylsulfanylbenzoate Traditional Name: 2-(acetylthio)benzoic acid [4-(nitrooxymethyl)phenyl] ester Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6S/c1-11(18)24-15-5-3-2-4-14(15)16(19)23-13-8-6-12(7-9-13)10-22-17(20)21/h2-9H,10H2,1H3