1,5-dimethyl-2-nitro-3-(phenylsulfonyl)benzene

Systemtic Name: 1,5-dimethyl-2-nitro-3-(phenylsulfonyl)benzene Openeye Name: 1-(benzenesulfonyl)-3,5-dimethyl-2-nitro-benzene CAS Name: 1-(benzenesulfonyl)-3,5-dimethyl-2-nitrobenzene IUPAC Name: 1-(benzenesulfonyl)-3,5-dimethyl-2-nitrobenzene Traditional Name: 1-besyl-3,5-dimethyl-2-nitro-benzene Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H13NO4S/c1-10-8-11(2)14(15(16)17)13(9-10)20(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3