1,2,3,4,5-pentamethyl-6-(nitromethylsulfonyl)benzene

Systemtic Name: 1,2,3,4,5-pentamethyl-6-(nitromethylsulfonyl)benzene Openeye Name: 1,2,3,4,5-pentamethyl-6-(nitromethylsulfonyl)benzene CAS Name: 1,2,3,4,5-pentamethyl-6-(nitromethylsulfonyl)benzene IUPAC Name: 1,2,3,4,5-pentamethyl-6-(nitromethylsulfonyl)benzene Traditional Name: 1,2,3,4,5-pentamethyl-6-(nitromethylsulfonyl)benzene Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)C[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)C[N+](=O)[O-])C)C

InChI

InChI=1S/C12H17NO4S/c1-7-8(2)10(4)12(11(5)9(7)3)18(16,17)6-13(14)15/h6H2,1-5H3