5-ethynyl-3-nitro-benzo[b][1]benzothiepine

Systemtic Name: 5-ethynyl-3-nitro-benzo[b][1]benzothiepine Openeye Name: 5-ethynyl-3-nitro-benzo[b][1]benzothiepine CAS Name: 5-ethynyl-3-nitrobenzo[b][1]benzothiepin IUPAC Name: 5-ethynyl-3-nitrobenzo[b][1]benzothiepine Traditional Name: 5-ethynyl-3-nitro-benzo[b][1]benzothiepin Formula: C16H9NO2S MolecularWeight: 279.31316

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H9NO2S/c1-2-11-9-12-5-3-4-6-15(12)20-16-8-7-13(17(18)19)10-14(11)16/h1,3-10H