3-[(E)-4-nitrobut-3-en-1-ynyl]thiophene

Systemtic Name: 3-[(E)-4-nitrobut-3-en-1-ynyl]thiophene Openeye Name: 3-[(E)-4-nitrobut-3-en-1-ynyl]thiophene CAS Name: 3-[(E)-4-nitrobut-3-en-1-ynyl]thiophene IUPAC Name: 3-[(E)-4-nitrobut-3-en-1-ynyl]thiophene Traditional Name: 3-[(E)-4-nitrobut-3-en-1-ynyl]thiophene Formula: C8H5NO2S MolecularWeight: 179.1958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C#CC=C[N+](=O)[O-]

Isomeric SMILES

C1=CSC=C1C#C/C=C/[N+](=O)[O-]

InChI

InChI=1S/C8H5NO2S/c10-9(11)5-2-1-3-8-4-6-12-7-8/h2,4-7H/b5-2+