5-butan-2-yl-2-(4-ethynylphenyl)-1,3-dithiane

Systemtic Name: 5-butan-2-yl-2-(4-ethynylphenyl)-1,3-dithiane Openeye Name: 2-(4-ethynylphenyl)-5-sec-butyl-1,3-dithiane CAS Name: 5-butan-2-yl-2-(4-ethynylphenyl)-1,3-dithiane IUPAC Name: 5-butan-2-yl-2-(4-ethynylphenyl)-1,3-dithiane Traditional Name: 2-(4-ethynylphenyl)-5-sec-butyl-1,3-dithiane Formula: C16H20S2 MolecularWeight: 276.46

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CSC(SC1)C2=CC=C(C=C2)C#C

Isomeric SMILES

CCC(C)C1CSC(SC1)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C16H20S2/c1-4-12(3)15-10-17-16(18-11-15)14-8-6-13(5-2)7-9-14/h2,6-9,12,15-16H,4,10-11H2,1,3H3