S-butyl 3-phenylpropanethioate

Systemtic Name: S-butyl 3-phenylpropanethioate Openeye Name: S-butyl 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-butyl ester IUPAC Name: S-butyl 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-butyl ester Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCSC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C13H18OS/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3