5-(3-octyl-1,2-dithiolan-3-yl)pentanoate

Systemtic Name: 5-(3-octyl-1,2-dithiolan-3-yl)pentanoate Openeye Name: 5-(3-octyldithiolan-3-yl)pentanoate CAS Name: 5-(3-octyl-3-dithiolanyl)pentanoate IUPAC Name: 5-(3-octyldithiolan-3-yl)pentanoate Traditional Name: 5-(3-octyldithiolan-3-yl)valerate Formula: C16H29O2S2- MolecularWeight: 317.53026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCSS1)CCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCC1(CCSS1)CCCCC(=O)[O-]

InChI

InChI=1S/C16H30O2S2/c1-2-3-4-5-6-8-11-16(13-14-19-20-16)12-9-7-10-15(17)18/h2-14H2,1H3,(H,17,18)/p-1