S-tert-butyl (E)-12-oxidanyloctadec-9-enethioate

Systemtic Name: S-tert-butyl (E)-12-oxidanyloctadec-9-enethioate Openeye Name: S-tert-butyl (E)-12-hydroxyoctadec-9-enethioate CAS Name: (E)-12-hydroxy-9-octadecenethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (E)-12-hydroxyoctadec-9-enethioate Traditional Name: (E)-12-hydroxyoctadec-9-enethioic acid S-tert-butyl ester Formula: C22H42O2S MolecularWeight: 370.63268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)SC(C)(C)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)SC(C)(C)C)O

InChI

InChI=1S/C22H42O2S/c1-5-6-7-14-17-20(23)18-15-12-10-8-9-11-13-16-19-21(24)25-22(2,3)4/h12,15,20,23H,5-11,13-14,16-19H2,1-4H3/b15-12+