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

Systemtic Name: 2-[(E)-2-(dioxidanyl)ethenyl]sulfonyl-5-methyl-1,3-dinitro-benzene Openeye Name: 2-[(E)-2-hydroperoxyvinyl]sulfonyl-5-methyl-1,3-dinitro-benzene CAS Name: 2-[(E)-2-hydroperoxyethenyl]sulfonyl-5-methyl-1,3-dinitrobenzene IUPAC Name: 2-[(E)-2-hydroperoxyethenyl]sulfonyl-5-methyl-1,3-dinitrobenzene Traditional Name: 2-[(E)-2-hydroperoxyvinyl]sulfonyl-5-methyl-1,3-dinitro-benzene Formula: C9H8N2O8S MolecularWeight: 304.23342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C=COO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])S(=O)(=O)/C=C/OO)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O8S/c1-6-4-7(10(12)13)9(8(5-6)11(14)15)20(17,18)3-2-19-16/h2-5,16H,1H3/b3-2+