2-methyl-1,3-dinitro-4-(phenylsulfonyl)benzene

Systemtic Name: 2-methyl-1,3-dinitro-4-(phenylsulfonyl)benzene Openeye Name: 1-(benzenesulfonyl)-3-methyl-2,4-dinitro-benzene CAS Name: 1-(benzenesulfonyl)-3-methyl-2,4-dinitrobenzene IUPAC Name: 1-(benzenesulfonyl)-3-methyl-2,4-dinitrobenzene Traditional Name: 1-besyl-3-methyl-2,4-dinitro-benzene Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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