5-tert-butyl-2-(4-but-1-ynylphenyl)-1,3-dithiane

Systemtic Name: 5-tert-butyl-2-(4-but-1-ynylphenyl)-1,3-dithiane Openeye Name: 5-tert-butyl-2-(4-but-1-ynylphenyl)-1,3-dithiane CAS Name: 5-tert-butyl-2-(4-but-1-ynylphenyl)-1,3-dithiane IUPAC Name: 5-tert-butyl-2-(4-but-1-ynylphenyl)-1,3-dithiane Traditional Name: 5-tert-butyl-2-(4-but-1-ynylphenyl)-1,3-dithiane Formula: C18H24S2 MolecularWeight: 304.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=CC=C(C=C1)C2SCC(CS2)C(C)(C)C

Isomeric SMILES

CCC#CC1=CC=C(C=C1)C2SCC(CS2)C(C)(C)C

InChI

InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3