1-(4-ethynylphenyl)sulfonyl-3-nitro-benzene

Systemtic Name: 1-(4-ethynylphenyl)sulfonyl-3-nitro-benzene Openeye Name: 1-(4-ethynylphenyl)sulfonyl-3-nitro-benzene CAS Name: 1-(4-ethynylphenyl)sulfonyl-3-nitrobenzene IUPAC Name: 1-(4-ethynylphenyl)sulfonyl-3-nitrobenzene Traditional Name: 1-(4-ethynylphenyl)sulfonyl-3-nitro-benzene Formula: C14H9NO4S MolecularWeight: 287.29056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9NO4S/c1-2-11-6-8-13(9-7-11)20(18,19)14-5-3-4-12(10-14)15(16)17/h1,3-10H