(4-oxidanylthiolan-3-yl) octanoate

Systemtic Name: (4-oxidanylthiolan-3-yl) octanoate Openeye Name: (4-hydroxytetrahydrothiophen-3-yl) octanoate CAS Name: octanoic acid (4-hydroxy-3-thiolanyl) ester IUPAC Name: (4-hydroxythiolan-3-yl) octanoate Traditional Name: caprylic acid (4-hydroxytetrahydrothiophen-3-yl) ester Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CSCC1O

Isomeric SMILES

CCCCCCCC(=O)OC1CSCC1O

InChI

InChI=1S/C12H22O3S/c1-2-3-4-5-6-7-12(14)15-11-9-16-8-10(11)13/h10-11,13H,2-9H2,1H3