S-phenyl (E)-hex-2-enethioate

Systemtic Name: S-phenyl (E)-hex-2-enethioate Openeye Name: S-phenyl (E)-hex-2-enethioate CAS Name: (E)-2-hexenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-hex-2-enethioate Traditional Name: (E)-hex-2-enethioic acid S-phenyl ester Formula: C12H14OS MolecularWeight: 206.30396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(=O)SC1=CC=CC=C1

Isomeric SMILES

CCC/C=C/C(=O)SC1=CC=CC=C1

InChI

InChI=1S/C12H14OS/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h4-10H,2-3H2,1H3/b10-5+