S-phenyl (3E)-hepta-3,6-dienethioate

Systemtic Name: S-phenyl (3E)-hepta-3,6-dienethioate Openeye Name: S-phenyl (3E)-hepta-3,6-dienethioate CAS Name: (3E)-hepta-3,6-dienethioic acid S-phenyl ester IUPAC Name: S-phenyl (3E)-hepta-3,6-dienethioate Traditional Name: (3E)-hepta-3,6-dienethioic acid S-phenyl ester Formula: C13H14OS MolecularWeight: 218.31466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14OS/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h2,4-10H,1,3,11H2/b8-4+