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

Systemtic Name: (2-methyl-1-nitro-propan-2-yl)sulfanylbenzene Openeye Name: (1,1-dimethyl-2-nitro-ethyl)sulfanylbenzene CAS Name: [(2-methyl-1-nitropropan-2-yl)thio]benzene IUPAC Name: (2-methyl-1-nitropropan-2-yl)sulfanylbenzene Traditional Name: [(1,1-dimethyl-2-nitro-ethyl)thio]benzene Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2S/c1-10(2,8-11(12)13)14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3