S-dodecyl 3-phenylpropanethioate

Systemtic Name: S-dodecyl 3-phenylpropanethioate Openeye Name: S-dodecyl 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-dodecyl ester IUPAC Name: S-dodecyl 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-lauryl ester Formula: C21H34OS MolecularWeight: 334.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCSC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C21H34OS/c1-2-3-4-5-6-7-8-9-10-14-19-23-21(22)18-17-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3