(2S,5S)-5-tert-butyl-2-(4-prop-1-ynylphenyl)-1,3-oxathiane

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC=C(C=C1)C2OCC(CS2)C(C)(C)C

Isomeric SMILES

CC#CC1=CC=C(C=C1)[C@H]2OC[C@@H](CS2)C(C)(C)C

InChI

InChI=1S/C17H22OS/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3/t15-,16-/m0/s1