1-(2-methyl-1-nitro-propan-2-yl)-4-(phenylsulfonyl)benzene

Systemtic Name: 1-(2-methyl-1-nitro-propan-2-yl)-4-(phenylsulfonyl)benzene Openeye Name: 1-(benzenesulfonyl)-4-(1,1-dimethyl-2-nitro-ethyl)benzene CAS Name: 1-(benzenesulfonyl)-4-(2-methyl-1-nitropropan-2-yl)benzene IUPAC Name: 1-(benzenesulfonyl)-4-(2-methyl-1-nitropropan-2-yl)benzene Traditional Name: 1-besyl-4-(1,1-dimethyl-2-nitro-ethyl)benzene Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[N+](=O)[O-])C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C[N+](=O)[O-])C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO4S/c1-16(2,12-17(18)19)13-8-10-15(11-9-13)22(20,21)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3