5-[3-(6-methylheptyl)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: 5-[3-(6-methylheptyl)-1,2-dithiolan-3-yl]pentanoate Openeye Name: 5-[3-(6-methylheptyl)dithiolan-3-yl]pentanoate CAS Name: 5-[3-(6-methylheptyl)-3-dithiolanyl]pentanoate IUPAC Name: 5-[3-(6-methylheptyl)dithiolan-3-yl]pentanoate Traditional Name: 5-[3-(6-methylheptyl)dithiolan-3-yl]valerate Formula: C16H29O2S2- MolecularWeight: 317.53026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1(CCSS1)CCCCC(=O)[O-]

Isomeric SMILES

CC(C)CCCCCC1(CCSS1)CCCCC(=O)[O-]

InChI

InChI=1S/C16H30O2S2/c1-14(2)8-4-3-6-10-16(12-13-19-20-16)11-7-5-9-15(17)18/h14H,3-13H2,1-2H3,(H,17,18)/p-1