S-tert-butyl 2-tert-butyl-4-(1-oxidanyl-1-phenyl-ethyl)-1,3-dioxolane-4-carbothioate

Systemtic Name: S-tert-butyl 2-tert-butyl-4-(1-oxidanyl-1-phenyl-ethyl)-1,3-dioxolane-4-carbothioate Openeye Name: S-tert-butyl 2-tert-butyl-4-(1-hydroxy-1-phenyl-ethyl)-1,3-dioxolane-4-carbothioate CAS Name: 2-tert-butyl-4-(1-hydroxy-1-phenylethyl)-1,3-dioxolane-4-carbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-tert-butyl-4-(1-hydroxy-1-phenylethyl)-1,3-dioxolane-4-carbothioate Traditional Name: 2-tert-butyl-4-(1-hydroxy-1-phenyl-ethyl)-1,3-dioxolane-4-carbothioic acid S-tert-butyl ester Formula: C20H30O4S MolecularWeight: 366.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1OCC(O1)(C(=O)SC(C)(C)C)C(C)(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)C1OCC(O1)(C(=O)SC(C)(C)C)C(C)(C2=CC=CC=C2)O

InChI

InChI=1S/C20H30O4S/c1-17(2,3)16-23-13-20(24-16,15(21)25-18(4,5)6)19(7,22)14-11-9-8-10-12-14/h8-12,16,22H,13H2,1-7H3