[2-(4-methylphenyl)sulfonyl-1-phenylselanyl-ethyl] benzoate

Systemtic Name: [2-(4-methylphenyl)sulfonyl-1-phenylselanyl-ethyl] benzoate Openeye Name: [1-phenylselanyl-2-(p-tolylsulfonyl)ethyl] benzoate CAS Name: benzoic acid [2-(4-methylphenyl)sulfonyl-1-(phenylseleno)ethyl] ester IUPAC Name: [2-(4-methylphenyl)sulfonyl-1-phenylselanylethyl] benzoate Traditional Name: benzoic acid [1-(phenylseleno)-2-tosyl-ethyl] ester Formula: C22H20O4SSe MolecularWeight: 459.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(OC(=O)C2=CC=CC=C2)[Se]C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(OC(=O)C2=CC=CC=C2)[Se]C3=CC=CC=C3

InChI

InChI=1S/C22H20O4SSe/c1-17-12-14-19(15-13-17)27(24,25)16-21(28-20-10-6-3-7-11-20)26-22(23)18-8-4-2-5-9-18/h2-15,21H,16H2,1H3