O-ethyl (1-chloranyl-2-oxidanylidene-undecan-5-yl)sulfanylmethanethioate

Systemtic Name: O-ethyl (1-chloranyl-2-oxidanylidene-undecan-5-yl)sulfanylmethanethioate Openeye Name: O-ethyl 1-(4-chloro-3-oxo-butyl)heptylsulfanylmethanethioate CAS Name: [(1-chloro-2-oxoundecan-5-yl)thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (1-chloro-2-oxoundecan-5-yl)sulfanylmethanethioate Traditional Name: [1-(4-chloro-3-keto-butyl)heptylthio]methanethioic acid O-ethyl ester Formula: C14H25ClO2S2 MolecularWeight: 324.9301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC(=O)CCl)SC(=S)OCC

Isomeric SMILES

CCCCCCC(CCC(=O)CCl)SC(=S)OCC

InChI

InChI=1S/C14H25ClO2S2/c1-3-5-6-7-8-13(10-9-12(16)11-15)19-14(18)17-4-2/h13H,3-11H2,1-2H3