heptyl 4-oxidanylthiolane-3-carboxylate

Systemtic Name: heptyl 4-oxidanylthiolane-3-carboxylate Openeye Name: heptyl 4-hydroxytetrahydrothiophene-3-carboxylate CAS Name: 4-hydroxy-3-thiolanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-hydroxythiolane-3-carboxylate Traditional Name: 4-hydroxytetrahydrothiophene-3-carboxylic acid heptyl ester Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1CSCC1O

Isomeric SMILES

CCCCCCCOC(=O)C1CSCC1O

InChI

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