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

Systemtic Name: S-(phenylmethyl) (E)-octadec-9-enethioate Openeye Name: S-benzyl (E)-octadec-9-enethioate CAS Name: (E)-9-octadecenethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (E)-octadec-9-enethioate Traditional Name: (E)-octadec-9-enethioic acid S-benzyl ester Formula: C25H40OS MolecularWeight: 388.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C25H40OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3/b10-9+