(4-methyl-4-phenylselanyl-pentan-2-yl) benzenesulfonate

Systemtic Name: (4-methyl-4-phenylselanyl-pentan-2-yl) benzenesulfonate Openeye Name: (1,3-dimethyl-3-phenylselanyl-butyl) benzenesulfonate CAS Name: benzenesulfonic acid [4-methyl-4-(phenylseleno)pentan-2-yl] ester IUPAC Name: (4-methyl-4-phenylselanylpentan-2-yl) benzenesulfonate Traditional Name: benzenesulfonic acid [1,3-dimethyl-3-(phenylseleno)butyl] ester Formula: C18H22O3SSe MolecularWeight: 397.39048

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)[Se]C1=CC=CC=C1)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(C)(C)[Se]C1=CC=CC=C1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22O3SSe/c1-15(21-22(19,20)16-10-6-4-7-11-16)14-18(2,3)23-17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3