ethyl 3-hexylsulfanylpropanoate; hexane-1-thiol

Systemtic Name: ethyl 3-hexylsulfanylpropanoate; hexane-1-thiol Openeye Name: ethyl 3-hexylsulfanylpropanoate; hexane-1-thiol CAS Name: 1-hexanethiol; 3-(hexylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-hexylsulfanylpropanoate; hexane-1-thiol Traditional Name: hexane-1-thiol; 3-(hexylthio)propionic acid ethyl ester Formula: C17H36O2S2 MolecularWeight: 336.59654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS.CCCCCCSCCC(=O)OCC

Isomeric SMILES

CCCCCCS.CCCCCCSCCC(=O)OCC

InChI

InChI=1S/C11H22O2S.C6H14S/c1-3-5-6-7-9-14-10-8-11(12)13-4-2;1-2-3-4-5-6-7/h3-10H2,1-2H3;7H,2-6H2,1H3