[1-[5-(2-iodanylphenyl)-1H-pyrazol-4-yl]naphthalen-2-yl] benzenesulfonate

Systemtic Name: [1-[5-(2-iodanylphenyl)-1H-pyrazol-4-yl]naphthalen-2-yl] benzenesulfonate Openeye Name: [1-[5-(2-iodophenyl)-1H-pyrazol-4-yl]-2-naphthyl] benzenesulfonate CAS Name: benzenesulfonic acid [1-[5-(2-iodophenyl)-1H-pyrazol-4-yl]-2-naphthalenyl] ester IUPAC Name: [1-[5-(2-iodophenyl)-1H-pyrazol-4-yl]naphthalen-2-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-[5-(2-iodophenyl)-1H-pyrazol-4-yl]-2-naphthyl] ester Formula: C25H17IN2O3S MolecularWeight: 552.38355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C4=C(NN=C4)C5=CC=CC=C5I

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C4=C(NN=C4)C5=CC=CC=C5I

InChI

InChI=1S/C25H17IN2O3S/c26-22-13-7-6-12-20(22)25-21(16-27-28-25)24-19-11-5-4-8-17(19)14-15-23(24)31-32(29,30)18-9-2-1-3-10-18/h1-16H,(H,27,28)