methyl 4-[2-(2-propyl-1,3-dithiolan-2-yl)ethynyl]benzoate

Systemtic Name: methyl 4-[2-(2-propyl-1,3-dithiolan-2-yl)ethynyl]benzoate Openeye Name: methyl 4-[2-(2-propyl-1,3-dithiolan-2-yl)ethynyl]benzoate CAS Name: 4-[2-(2-propyl-1,3-dithiolan-2-yl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-propyl-1,3-dithiolan-2-yl)ethynyl]benzoate Traditional Name: 4-[2-(2-propyl-1,3-dithiolan-2-yl)ethynyl]benzoic acid methyl ester Formula: C16H18O2S2 MolecularWeight: 306.44292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(SCCS1)C#CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1(SCCS1)C#CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H18O2S2/c1-3-9-16(19-11-12-20-16)10-8-13-4-6-14(7-5-13)15(17)18-2/h4-7H,3,9,11-12H2,1-2H3