5-tert-butyl-2-(4-ethynylphenyl)-6-methyl-1,3-oxathiane

Systemtic Name: 5-tert-butyl-2-(4-ethynylphenyl)-6-methyl-1,3-oxathiane Openeye Name: 5-tert-butyl-2-(4-ethynylphenyl)-6-methyl-1,3-oxathiane CAS Name: 5-tert-butyl-2-(4-ethynylphenyl)-6-methyl-1,3-oxathiane IUPAC Name: 5-tert-butyl-2-(4-ethynylphenyl)-6-methyl-1,3-oxathiane Traditional Name: 5-tert-butyl-2-(4-ethynylphenyl)-6-methyl-1,3-oxathiane Formula: C17H22OS MolecularWeight: 274.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CSC(O1)C2=CC=C(C=C2)C#C)C(C)(C)C

Isomeric SMILES

CC1C(CSC(O1)C2=CC=C(C=C2)C#C)C(C)(C)C

InChI

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