2,4-dimethyl-1-(nitromethylsulfonyl)benzene

Systemtic Name: 2,4-dimethyl-1-(nitromethylsulfonyl)benzene Openeye Name: 2,4-dimethyl-1-(nitromethylsulfonyl)benzene CAS Name: 2,4-dimethyl-1-(nitromethylsulfonyl)benzene IUPAC Name: 2,4-dimethyl-1-(nitromethylsulfonyl)benzene Traditional Name: 2,4-dimethyl-1-(nitromethylsulfonyl)benzene Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4S/c1-7-3-4-9(8(2)5-7)15(13,14)6-10(11)12/h3-5H,6H2,1-2H3