2,6-dinitro-4-(phenylmethyl)sulfonyl-benzenecarbonitrile

Systemtic Name: 2,6-dinitro-4-(phenylmethyl)sulfonyl-benzenecarbonitrile Openeye Name: 4-benzylsulfonyl-2,6-dinitro-benzonitrile CAS Name: 2,6-dinitro-4-(phenylmethyl)sulfonylbenzonitrile IUPAC Name: 4-benzylsulfonyl-2,6-dinitrobenzonitrile Traditional Name: 4-benzylsulfonyl-2,6-dinitro-benzonitrile Formula: C14H9N3O6S MolecularWeight: 347.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O6S/c15-8-12-13(16(18)19)6-11(7-14(12)17(20)21)24(22,23)9-10-4-2-1-3-5-10/h1-7H,9H2