4-chloranyl-2-methyl-1-methylsulfonyl-3,5-dinitro-benzene

Systemtic Name: 4-chloranyl-2-methyl-1-methylsulfonyl-3,5-dinitro-benzene Openeye Name: 4-chloro-2-methyl-1-methylsulfonyl-3,5-dinitro-benzene CAS Name: 4-chloro-2-methyl-1-methylsulfonyl-3,5-dinitrobenzene IUPAC Name: 4-chloro-2-methyl-1-methylsulfonyl-3,5-dinitrobenzene Traditional Name: 4-chloro-1-mesyl-2-methyl-3,5-dinitro-benzene Formula: C8H7ClN2O6S MolecularWeight: 294.66898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7ClN2O6S/c1-4-6(18(2,16)17)3-5(10(12)13)7(9)8(4)11(14)15/h3H,1-2H3