[3-(4-oxidanylidenebutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl] ethanoate

Systemtic Name: [3-(4-oxidanylidenebutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl] ethanoate Openeye Name: [3-(4-oxobutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl] acetate CAS Name: acetic acid [3-(4-oxobutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl] ester IUPAC Name: [3-(4-oxobutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl] acetate Traditional Name: acetic acid [3-(4-ketobutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl] ester Formula: C11H16O3S2 MolecularWeight: 260.37294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SCCCS1)CCCC=O

Isomeric SMILES

CC(=O)OC1=C(SCCCS1)CCCC=O

InChI

InChI=1S/C11H16O3S2/c1-9(13)14-11-10(5-2-3-6-12)15-7-4-8-16-11/h6H,2-5,7-8H2,1H3