[(4R)-8-oxidanylidene-2-(phenylselanylmethyl)-3-oxaspiro[4.5]decan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(4R)-8-oxidanylidene-2-(phenylselanylmethyl)-3-oxaspiro[4.5]decan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(4R)-8-oxo-2-(phenylselanylmethyl)-3-oxaspiro[4.5]decan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R)-8-oxo-2-[(phenylseleno)methyl]-3-oxaspiro[4.5]decan-4-yl]methyl ester IUPAC Name: [(4R)-8-oxo-2-(phenylselanylmethyl)-3-oxaspiro[4.5]decan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4R)-8-keto-2-[(phenylseleno)methyl]-3-oxaspiro[4.5]decan-4-yl]methyl ester Formula: C24H28O5SSe MolecularWeight: 507.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3(CCC(=O)CC3)CC(O2)C[Se]C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C3(CCC(=O)CC3)CC(O2)C[Se]C4=CC=CC=C4

InChI

InChI=1S/C24H28O5SSe/c1-18-7-9-21(10-8-18)30(26,27)28-16-23-24(13-11-19(25)12-14-24)15-20(29-23)17-31-22-5-3-2-4-6-22/h2-10,20,23H,11-17H2,1H3/t20?,23-/m0/s1