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

Systemtic Name: 5-tert-butyl-2-(2-ethynylphenyl)-1,3-oxathiane 3-oxide Openeye Name: 5-tert-butyl-2-(2-ethynylphenyl)-1,3-oxathiane 3-oxide CAS Name: 5-tert-butyl-2-(2-ethynylphenyl)-1,3-oxathiane 3-oxide IUPAC Name: 5-tert-butyl-2-(2-ethynylphenyl)-1,3-oxathiane 3-oxide Traditional Name: 5-tert-butyl-2-(2-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=CC=C2C#C

Isomeric SMILES

CC(C)(C)C1COC(S(=O)C1)C2=CC=CC=C2C#C

InChI

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