[(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl] ethanoate

Systemtic Name: [(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl] ethanoate Openeye Name: [(E)-1-(1,3-dithian-2-yl)-1-prop-1-ynyl-but-2-enyl] acetate CAS Name: acetic acid [(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl] ester IUPAC Name: [(E)-4-(1,3-dithian-2-yl)hept-2-en-5-yn-4-yl] acetate Traditional Name: acetic acid [(E)-1-(1,3-dithian-2-yl)-1-prop-1-ynyl-but-2-enyl] ester Formula: C13H18O2S2 MolecularWeight: 270.41082

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C#CC)(C1SCCCS1)OC(=O)C

Isomeric SMILES

C/C=C/C(C#CC)(C1SCCCS1)OC(=O)C

InChI

InChI=1S/C13H18O2S2/c1-4-7-13(8-5-2,15-11(3)14)12-16-9-6-10-17-12/h4,7,12H,6,9-10H2,1-3H3/b7-4+