O1-(2-ethyl-5-oxidanylidene-hexyl) O2-(methylsulfanylmethyl) benzene-1,2-dicarboxylate

Systemtic Name: O1-(2-ethyl-5-oxidanylidene-hexyl) O2-(methylsulfanylmethyl) benzene-1,2-dicarboxylate Openeye Name: O1-(2-ethyl-5-oxo-hexyl) O2-(methylsulfanylmethyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(2-ethyl-5-oxohexyl) ester O2-[(methylthio)methyl] ester IUPAC Name: 1-O-(2-ethyl-5-oxohexyl) 2-O-(methylsulfanylmethyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-(2-ethyl-5-keto-hexyl) ester O2-[(methylthio)methyl] ester Formula: C18H24O5S MolecularWeight: 352.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C)COC(=O)C1=CC=CC=C1C(=O)OCSC

Isomeric SMILES

CCC(CCC(=O)C)COC(=O)C1=CC=CC=C1C(=O)OCSC

InChI

InChI=1S/C18H24O5S/c1-4-14(10-9-13(2)19)11-22-17(20)15-7-5-6-8-16(15)18(21)23-12-24-3/h5-8,14H,4,9-12H2,1-3H3