[2-[2,3-bis(oxidanyl)propylsulfanylmethyl]-3-oxidanylidene-cyclohexyl]methyl ethanoate

Systemtic Name: [2-[2,3-bis(oxidanyl)propylsulfanylmethyl]-3-oxidanylidene-cyclohexyl]methyl ethanoate Openeye Name: [2-(2,3-dihydroxypropylsulfanylmethyl)-3-oxo-cyclohexyl]methyl acetate CAS Name: acetic acid [2-[(2,3-dihydroxypropylthio)methyl]-3-oxocyclohexyl]methyl ester IUPAC Name: [2-(2,3-dihydroxypropylsulfanylmethyl)-3-oxocyclohexyl]methyl acetate Traditional Name: acetic acid [2-[(glycerylthio)methyl]-3-keto-cyclohexyl]methyl ester Formula: C13H22O5S MolecularWeight: 290.37578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CCCC(=O)C1CSCC(CO)O

Isomeric SMILES

CC(=O)OCC1CCCC(=O)C1CSCC(CO)O

InChI

InChI=1S/C13H22O5S/c1-9(15)18-6-10-3-2-4-13(17)12(10)8-19-7-11(16)5-14/h10-12,14,16H,2-8H2,1H3