tert-butyl 5-(3-oxidanylpropyl)thiolane-2-carboxylate

Systemtic Name: tert-butyl 5-(3-oxidanylpropyl)thiolane-2-carboxylate Openeye Name: tert-butyl 5-(3-hydroxypropyl)tetrahydrothiophene-2-carboxylate CAS Name: 5-(3-hydroxypropyl)-2-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(3-hydroxypropyl)thiolane-2-carboxylate Traditional Name: 5-(3-hydroxypropyl)tetrahydrothiophene-2-carboxylic acid tert-butyl ester Formula: C12H22O3S MolecularWeight: 246.36628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(S1)CCCO

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC(S1)CCCO

InChI

InChI=1S/C12H22O3S/c1-12(2,3)15-11(14)10-7-6-9(16-10)5-4-8-13/h9-10,13H,4-8H2,1-3H3