1-[2-(phenylmethyl)-1,3-dithian-2-yl]prop-2-yn-1-one

Systemtic Name: 1-[2-(phenylmethyl)-1,3-dithian-2-yl]prop-2-yn-1-one Openeye Name: 1-(2-benzyl-1,3-dithian-2-yl)prop-2-yn-1-one CAS Name: 1-[2-(phenylmethyl)-1,3-dithian-2-yl]-2-propyn-1-one IUPAC Name: 1-(2-benzyl-1,3-dithian-2-yl)prop-2-yn-1-one Traditional Name: 1-(2-benzyl-1,3-dithian-2-yl)prop-2-yn-1-one Formula: C14H14OS2 MolecularWeight: 262.39036

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)C1(SCCCS1)CC2=CC=CC=C2

Isomeric SMILES

C#CC(=O)C1(SCCCS1)CC2=CC=CC=C2

InChI

InChI=1S/C14H14OS2/c1-2-13(15)14(16-9-6-10-17-14)11-12-7-4-3-5-8-12/h1,3-5,7-8H,6,9-11H2