1-nitro-4-(1-propan-2-ylsulfanylpropan-2-yl)benzene

Systemtic Name: 1-nitro-4-(1-propan-2-ylsulfanylpropan-2-yl)benzene Openeye Name: 1-(2-isopropylsulfanyl-1-methyl-ethyl)-4-nitro-benzene CAS Name: 1-nitro-4-[1-(propan-2-ylthio)propan-2-yl]benzene IUPAC Name: 1-nitro-4-(1-propan-2-ylsulfanylpropan-2-yl)benzene Traditional Name: 1-[2-(isopropylthio)-1-methyl-ethyl]-4-nitro-benzene Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2S/c1-9(2)16-8-10(3)11-4-6-12(7-5-11)13(14)15/h4-7,9-10H,8H2,1-3H3