[2-(3-iodanyl-1-phenyl-propyl)-4-methyl-phenyl] benzenesulfonate

Systemtic Name: [2-(3-iodanyl-1-phenyl-propyl)-4-methyl-phenyl] benzenesulfonate Openeye Name: [2-(3-iodo-1-phenyl-propyl)-4-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(3-iodo-1-phenylpropyl)-4-methylphenyl] ester IUPAC Name: [2-(3-iodo-1-phenylpropyl)-4-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(3-iodo-1-phenyl-propyl)-4-methyl-phenyl] ester Formula: C22H21IO3S MolecularWeight: 492.36981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(CCI)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(CCI)C3=CC=CC=C3

InChI

InChI=1S/C22H21IO3S/c1-17-12-13-22(26-27(24,25)19-10-6-3-7-11-19)21(16-17)20(14-15-23)18-8-4-2-5-9-18/h2-13,16,20H,14-15H2,1H3