[2-[4-(2-iodanylphenyl)-2-phenyl-pyrazol-3-yl]phenyl] benzenesulfonate

Systemtic Name: [2-[4-(2-iodanylphenyl)-2-phenyl-pyrazol-3-yl]phenyl] benzenesulfonate Openeye Name: [2-[4-(2-iodophenyl)-2-phenyl-pyrazol-3-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[4-(2-iodophenyl)-2-phenyl-3-pyrazolyl]phenyl] ester IUPAC Name: [2-[4-(2-iodophenyl)-2-phenylpyrazol-3-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[4-(2-iodophenyl)-2-phenyl-pyrazol-3-yl]phenyl] ester Formula: C27H19IN2O3S MolecularWeight: 578.42083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C3=CC=CC=C3I)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C3=CC=CC=C3I)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H19IN2O3S/c28-25-17-9-7-15-22(25)24-19-29-30(20-11-3-1-4-12-20)27(24)23-16-8-10-18-26(23)33-34(31,32)21-13-5-2-6-14-21/h1-19H