(2-nitro-5-phenylsulfanyl-phenyl) ethanoate

Systemtic Name: (2-nitro-5-phenylsulfanyl-phenyl) ethanoate Openeye Name: (2-nitro-5-phenylsulfanyl-phenyl) acetate CAS Name: acetic acid [2-nitro-5-(phenylthio)phenyl] ester IUPAC Name: (2-nitro-5-phenylsulfanylphenyl) acetate Traditional Name: acetic acid [2-nitro-5-(phenylthio)phenyl] ester Formula: C14H11NO4S MolecularWeight: 289.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4S/c1-10(16)19-14-9-12(7-8-13(14)15(17)18)20-11-5-3-2-4-6-11/h2-9H,1H3