3-butyl-5-nitro-1-benzothiophene

Systemtic Name: 3-butyl-5-nitro-1-benzothiophene Openeye Name: 3-butyl-5-nitro-benzothiophene CAS Name: 3-butyl-5-nitro-1-benzothiophene IUPAC Name: 3-butyl-5-nitro-1-benzothiophene Traditional Name: 3-butyl-5-nitro-benzothiophene Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CSC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CSC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO2S/c1-2-3-4-9-8-16-12-6-5-10(13(14)15)7-11(9)12/h5-8H,2-4H2,1H3