2-(4-methylphenyl)sulfanyl-2-nitro-3-propan-2-yl-oxirane

Systemtic Name: 2-(4-methylphenyl)sulfanyl-2-nitro-3-propan-2-yl-oxirane Openeye Name: 3-isopropyl-2-nitro-2-(p-tolylsulfanyl)oxirane CAS Name: 2-[(4-methylphenyl)thio]-2-nitro-3-propan-2-yloxirane IUPAC Name: 2-(4-methylphenyl)sulfanyl-2-nitro-3-propan-2-yloxirane Traditional Name: 3-isopropyl-2-nitro-2-(p-tolylthio)oxirane Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(C(O2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2(C(O2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-8(2)11-12(16-11,13(14)15)17-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3