3-(2-methyl-2-nitro-propyl)-1-benzothiophene

Systemtic Name: 3-(2-methyl-2-nitro-propyl)-1-benzothiophene Openeye Name: 3-(2-methyl-2-nitro-propyl)benzothiophene CAS Name: 3-(2-methyl-2-nitropropyl)-1-benzothiophene IUPAC Name: 3-(2-methyl-2-nitropropyl)-1-benzothiophene Traditional Name: 3-(2-methyl-2-nitro-propyl)benzothiophene Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CSC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CC1=CSC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO2S/c1-12(2,13(14)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-6,8H,7H2,1-2H3