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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)C[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)C[N+](=O)[O-]

InChI

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