1-methylsulfonyl-3,5-dinitro-2,4-di(propan-2-yl)benzene

Systemtic Name: 1-methylsulfonyl-3,5-dinitro-2,4-di(propan-2-yl)benzene Openeye Name: 2,4-diisopropyl-1-methylsulfonyl-3,5-dinitro-benzene CAS Name: 1-methylsulfonyl-3,5-dinitro-2,4-di(propan-2-yl)benzene IUPAC Name: 1-methylsulfonyl-3,5-dinitro-2,4-di(propan-2-yl)benzene Traditional Name: 2,4-diisopropyl-1-mesyl-3,5-dinitro-benzene Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6S/c1-7(2)11-9(14(16)17)6-10(22(5,20)21)12(8(3)4)13(11)15(18)19/h6-8H,1-5H3