S-butyl (E)-octadec-9-enethioate

Systemtic Name: S-butyl (E)-octadec-9-enethioate Openeye Name: S-butyl (E)-octadec-9-enethioate CAS Name: (E)-9-octadecenethioic acid S-butyl ester IUPAC Name: S-butyl (E)-octadec-9-enethioate Traditional Name: (E)-octadec-9-enethioic acid S-butyl ester Formula: C22H42OS MolecularWeight: 354.63328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SCCCC

InChI

InChI=1S/C22H42OS/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12+