1-heptylsulfonyl-2,4-dinitro-benzene

Systemtic Name: 1-heptylsulfonyl-2,4-dinitro-benzene Openeye Name: 1-heptylsulfonyl-2,4-dinitro-benzene CAS Name: 1-heptylsulfonyl-2,4-dinitrobenzene IUPAC Name: 1-heptylsulfonyl-2,4-dinitrobenzene Traditional Name: 1-heptylsulfonyl-2,4-dinitro-benzene Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6S/c1-2-3-4-5-6-9-22(20,21)13-8-7-11(14(16)17)10-12(13)15(18)19/h7-8,10H,2-6,9H2,1H3