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

Systemtic Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-oxathiane 3-oxide Openeye Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-oxathiane 3-oxide CAS Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-oxathiane 3-oxide IUPAC Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-oxathiane 3-oxide Traditional Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-oxathiane 3-oxide Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC(S(=O)C1)C2=CC=C(C=C2)C#C

Isomeric SMILES

CC(C)(C)C1COC(S(=O)C1)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C16H20O2S/c1-5-12-6-8-13(9-7-12)15-18-10-14(11-19(15)17)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3