(2-methyl-1-nitro-butan-2-yl)sulfanylbenzene

Systemtic Name: (2-methyl-1-nitro-butan-2-yl)sulfanylbenzene Openeye Name: [1-methyl-1-(nitromethyl)propyl]sulfanylbenzene CAS Name: [(2-methyl-1-nitrobutan-2-yl)thio]benzene IUPAC Name: (2-methyl-1-nitrobutan-2-yl)sulfanylbenzene Traditional Name: [[1-methyl-1-(nitromethyl)propyl]thio]benzene Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C[N+](=O)[O-])SC1=CC=CC=C1

Isomeric SMILES

CCC(C)(C[N+](=O)[O-])SC1=CC=CC=C1

InChI

InChI=1S/C11H15NO2S/c1-3-11(2,9-12(13)14)15-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3