[2-(1,3-dithiolan-2-ylmethyl)-1-(hydroxymethyl)cyclohexyl] ethanoate

Systemtic Name: [2-(1,3-dithiolan-2-ylmethyl)-1-(hydroxymethyl)cyclohexyl] ethanoate Openeye Name: [2-(1,3-dithiolan-2-ylmethyl)-1-(hydroxymethyl)cyclohexyl] acetate CAS Name: acetic acid [2-(1,3-dithiolan-2-ylmethyl)-1-(hydroxymethyl)cyclohexyl] ester IUPAC Name: [2-(1,3-dithiolan-2-ylmethyl)-1-(hydroxymethyl)cyclohexyl] acetate Traditional Name: acetic acid [2-(1,3-dithiolan-2-ylmethyl)-1-methylol-cyclohexyl] ester Formula: C13H22O3S2 MolecularWeight: 290.44198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCCCC1CC2SCCS2)CO

Isomeric SMILES

CC(=O)OC1(CCCCC1CC2SCCS2)CO

InChI

InChI=1S/C13H22O3S2/c1-10(15)16-13(9-14)5-3-2-4-11(13)8-12-17-6-7-18-12/h11-12,14H,2-9H2,1H3