1-(3-nitro-4-propan-2-ylsulfanyl-phenyl)ethanone

Systemtic Name: 1-(3-nitro-4-propan-2-ylsulfanyl-phenyl)ethanone Openeye Name: 1-(4-isopropylsulfanyl-3-nitro-phenyl)ethanone CAS Name: 1-[3-nitro-4-(propan-2-ylthio)phenyl]ethanone IUPAC Name: 1-(3-nitro-4-propan-2-ylsulfanylphenyl)ethanone Traditional Name: 1-[4-(isopropylthio)-3-nitro-phenyl]ethanone Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3S/c1-7(2)16-11-5-4-9(8(3)13)6-10(11)12(14)15/h4-7H,1-3H3