2-nitro-4-phenylsulfanyl-benzo[b][1]benzoxepine

Systemtic Name: 2-nitro-4-phenylsulfanyl-benzo[b][1]benzoxepine Openeye Name: 2-nitro-4-phenylsulfanyl-benzo[b][1]benzoxepine CAS Name: 2-nitro-4-(phenylthio)benzo[b][1]benzoxepin IUPAC Name: 2-nitro-4-phenylsulfanylbenzo[b][1]benzoxepine Traditional Name: 2-nitro-4-(phenylthio)benzo[b][1]benzoxepin Formula: C20H13NO3S MolecularWeight: 347.38712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO3S/c22-21(23)15-12-19-17(11-10-14-6-4-5-9-18(14)24-19)20(13-15)25-16-7-2-1-3-8-16/h1-13H