1-nitro-4-[2-(phenylsulfonyl)ethynyl]benzene

Systemtic Name: 1-nitro-4-[2-(phenylsulfonyl)ethynyl]benzene Openeye Name: 1-[2-(benzenesulfonyl)ethynyl]-4-nitro-benzene CAS Name: 1-[2-(benzenesulfonyl)ethynyl]-4-nitrobenzene IUPAC Name: 1-[2-(benzenesulfonyl)ethynyl]-4-nitrobenzene Traditional Name: 1-(2-besylethynyl)-4-nitro-benzene Formula: C14H9NO4S MolecularWeight: 287.29056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H9NO4S/c16-15(17)13-8-6-12(7-9-13)10-11-20(18,19)14-4-2-1-3-5-14/h1-9H