1-butylsulfonyl-2,4-dimethyl-3,5-dinitro-benzene

Systemtic Name: 1-butylsulfonyl-2,4-dimethyl-3,5-dinitro-benzene Openeye Name: 1-butylsulfonyl-2,4-dimethyl-3,5-dinitro-benzene CAS Name: 1-butylsulfonyl-2,4-dimethyl-3,5-dinitrobenzene IUPAC Name: 1-butylsulfonyl-2,4-dimethyl-3,5-dinitrobenzene Traditional Name: 1-butylsulfonyl-2,4-dimethyl-3,5-dinitro-benzene Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C(=C(C(=C1)[N+](=O)[O-])C)[N+](=O)[O-])C

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C(=C(C(=C1)[N+](=O)[O-])C)[N+](=O)[O-])C

InChI

InChI=1S/C12H16N2O6S/c1-4-5-6-21(19,20)11-7-10(13(15)16)8(2)12(9(11)3)14(17)18/h7H,4-6H2,1-3H3