3-phenylpropanethioate

Systemtic Name: 3-phenylpropanethioate Openeye Name: 3-phenylpropanethioate CAS Name: 3-phenylpropanethioate IUPAC Name: 3-phenylpropanethioate Traditional Name: 3-phenylthiopropionate Formula: C9H9OS- MolecularWeight: 165.23216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=S)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=S)[O-]

InChI

InChI=1S/C9H10OS/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/p-1