(2S,5S)-5-tert-butyl-2-(4-ethynylphenyl)-2-methyl-1,3-oxathiane

Systemtic Name: (2S,5S)-5-tert-butyl-2-(4-ethynylphenyl)-2-methyl-1,3-oxathiane Openeye Name: (2S,5S)-5-tert-butyl-2-(4-ethynylphenyl)-2-methyl-1,3-oxathiane CAS Name: (2S,5S)-5-tert-butyl-2-(4-ethynylphenyl)-2-methyl-1,3-oxathiane IUPAC Name: (2S,5S)-5-tert-butyl-2-(4-ethynylphenyl)-2-methyl-1,3-oxathiane Traditional Name: (2S,5S)-5-tert-butyl-2-(4-ethynylphenyl)-2-methyl-1,3-oxathiane Formula: C17H22OS MolecularWeight: 274.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CS1)C(C)(C)C)C2=CC=C(C=C2)C#C

Isomeric SMILES

C[C@@]1(OC[C@@H](CS1)C(C)(C)C)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C17H22OS/c1-6-13-7-9-14(10-8-13)17(5)18-11-15(12-19-17)16(2,3)4/h1,7-10,15H,11-12H2,2-5H3/t15-,17-/m0/s1