2,4-dinitro-1-octan-2-ylsulfonyl-benzene

Systemtic Name: 2,4-dinitro-1-octan-2-ylsulfonyl-benzene Openeye Name: 1-(1-methylheptylsulfonyl)-2,4-dinitro-benzene CAS Name: 2,4-dinitro-1-octan-2-ylsulfonylbenzene IUPAC Name: 2,4-dinitro-1-octan-2-ylsulfonylbenzene Traditional Name: 1-(1-methylheptylsulfonyl)-2,4-dinitro-benzene Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O6S/c1-3-4-5-6-7-11(2)23(21,22)14-9-8-12(15(17)18)10-13(14)16(19)20/h8-11H,3-7H2,1-2H3