7-[(3R,4R)-4-octylthiolan-3-yl]heptanoic acid

Systemtic Name: 7-[(3R,4R)-4-octylthiolan-3-yl]heptanoic acid Openeye Name: 7-[(3R,4R)-4-octyltetrahydrothiophen-3-yl]heptanoic acid CAS Name: 7-[(3R,4R)-4-octyl-3-thiolanyl]heptanoic acid IUPAC Name: 7-[(3R,4R)-4-octylthiolan-3-yl]heptanoic acid Traditional Name: 7-[(3R,4R)-4-octyltetrahydrothiophen-3-yl]enanthic acid Formula: C19H36O2S MolecularWeight: 328.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CSCC1CCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC[C@H]1CSC[C@@H]1CCCCCCC(=O)O

InChI

InChI=1S/C19H36O2S/c1-2-3-4-5-6-9-12-17-15-22-16-18(17)13-10-7-8-11-14-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17-,18-/m0/s1