5-tert-butyl-1,3-dimethyl-2-(nitromethylsulfonyl)benzene

Systemtic Name: 5-tert-butyl-1,3-dimethyl-2-(nitromethylsulfonyl)benzene Openeye Name: 5-tert-butyl-1,3-dimethyl-2-(nitromethylsulfonyl)benzene CAS Name: 5-tert-butyl-1,3-dimethyl-2-(nitromethylsulfonyl)benzene IUPAC Name: 5-tert-butyl-1,3-dimethyl-2-(nitromethylsulfonyl)benzene Traditional Name: 5-tert-butyl-1,3-dimethyl-2-(nitromethylsulfonyl)benzene Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C13H19NO4S/c1-9-6-11(13(3,4)5)7-10(2)12(9)19(17,18)8-14(15)16/h6-7H,8H2,1-5H3