1-methyl-4-(nitromethylsulfonyl)benzene

Systemtic Name: 1-methyl-4-(nitromethylsulfonyl)benzene Openeye Name: 1-methyl-4-(nitromethylsulfonyl)benzene CAS Name: 1-methyl-4-(nitromethylsulfonyl)benzene IUPAC Name: 1-methyl-4-(nitromethylsulfonyl)benzene Traditional Name: 1-methyl-4-(nitromethylsulfonyl)benzene Formula: C8H8NO4S- MolecularWeight: 214.21842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8NO4S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-6H,1H3/q-1