1-nitro-3-(2-phenylethynylsulfonyl)benzene

Systemtic Name: 1-nitro-3-(2-phenylethynylsulfonyl)benzene Openeye Name: 1-nitro-3-(2-phenylethynylsulfonyl)benzene CAS Name: 1-nitro-3-(2-phenylethynylsulfonyl)benzene IUPAC Name: 1-nitro-3-(2-phenylethynylsulfonyl)benzene Traditional Name: 1-nitro-3-(2-phenylethynylsulfonyl)benzene Formula: C14H9NO4S MolecularWeight: 287.29056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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