1-nitro-4-propan-2-ylsulfanylsulfonyl-benzene

Systemtic Name: 1-nitro-4-propan-2-ylsulfanylsulfonyl-benzene Openeye Name: 1-isopropylsulfanylsulfonyl-4-nitro-benzene CAS Name: 1-nitro-4-(propan-2-ylthio)sulfonylbenzene IUPAC Name: 1-nitro-4-propan-2-ylsulfanylsulfonylbenzene Traditional Name: 1-(isopropylthio)sulfonyl-4-nitro-benzene Formula: C9H11NO4S2 MolecularWeight: 261.31794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4S2/c1-7(2)15-16(13,14)9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3