2-[(4-ethynylphenyl)methyl]-1,3-dithiane

Systemtic Name: 2-[(4-ethynylphenyl)methyl]-1,3-dithiane Openeye Name: 2-[(4-ethynylphenyl)methyl]-1,3-dithiane CAS Name: 2-[(4-ethynylphenyl)methyl]-1,3-dithiane IUPAC Name: 2-[(4-ethynylphenyl)methyl]-1,3-dithiane Traditional Name: 2-(4-ethynylbenzyl)-1,3-dithiane Formula: C13H14S2 MolecularWeight: 234.38026

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)CC2SCCCS2

Isomeric SMILES

C#CC1=CC=C(C=C1)CC2SCCCS2

InChI

InChI=1S/C13H14S2/c1-2-11-4-6-12(7-5-11)10-13-14-8-3-9-15-13/h1,4-7,13H,3,8-10H2