5-butan-2-yl-2-[(E)-2-(dioxidanyl)ethenyl]sulfonyl-1,3-dinitro-benzene

Systemtic Name: 5-butan-2-yl-2-[(E)-2-(dioxidanyl)ethenyl]sulfonyl-1,3-dinitro-benzene Openeye Name: 2-[(E)-2-hydroperoxyvinyl]sulfonyl-1,3-dinitro-5-sec-butyl-benzene CAS Name: 5-butan-2-yl-2-[(E)-2-hydroperoxyethenyl]sulfonyl-1,3-dinitrobenzene IUPAC Name: 5-butan-2-yl-2-[(E)-2-hydroperoxyethenyl]sulfonyl-1,3-dinitrobenzene Traditional Name: 2-[(E)-2-hydroperoxyvinyl]sulfonyl-1,3-dinitro-5-sec-butyl-benzene Formula: C12H14N2O8S MolecularWeight: 346.31316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C=COO)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])S(=O)(=O)/C=C/OO)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O8S/c1-3-8(2)9-6-10(13(15)16)12(11(7-9)14(17)18)23(20,21)5-4-22-19/h4-8,19H,3H2,1-2H3/b5-4+