2-chloranyl-1-methyl-3-(nitromethylsulfonyl)benzene

Systemtic Name: 2-chloranyl-1-methyl-3-(nitromethylsulfonyl)benzene Openeye Name: 2-chloro-1-methyl-3-(nitromethylsulfonyl)benzene CAS Name: 2-chloro-1-methyl-3-(nitromethylsulfonyl)benzene IUPAC Name: 2-chloro-1-methyl-3-(nitromethylsulfonyl)benzene Traditional Name: 2-chloro-1-methyl-3-(nitromethylsulfonyl)benzene Formula: C8H8ClNO4S MolecularWeight: 249.67142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8ClNO4S/c1-6-3-2-4-7(8(6)9)15(13,14)5-10(11)12/h2-4H,5H2,1H3