2,4-dinitro-1-(phenylmethyl)sulfonyl-benzene

Systemtic Name: 2,4-dinitro-1-(phenylmethyl)sulfonyl-benzene Openeye Name: 1-benzylsulfonyl-2,4-dinitro-benzene CAS Name: 2,4-dinitro-1-(phenylmethyl)sulfonylbenzene IUPAC Name: 1-benzylsulfonyl-2,4-dinitrobenzene Traditional Name: 1-benzylsulfonyl-2,4-dinitro-benzene Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O6S/c16-14(17)11-6-7-13(12(8-11)15(18)19)22(20,21)9-10-4-2-1-3-5-10/h1-8H,9H2