2-methyl-1,5-dinitro-3-(phenylsulfonyl)benzene

Systemtic Name: 2-methyl-1,5-dinitro-3-(phenylsulfonyl)benzene Openeye Name: 1-(benzenesulfonyl)-2-methyl-3,5-dinitro-benzene CAS Name: 1-(benzenesulfonyl)-2-methyl-3,5-dinitrobenzene IUPAC Name: 1-(benzenesulfonyl)-2-methyl-3,5-dinitrobenzene Traditional Name: 1-besyl-2-methyl-3,5-dinitro-benzene Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O6S/c1-9-12(15(18)19)7-10(14(16)17)8-13(9)22(20,21)11-5-3-2-4-6-11/h2-8H,1H3