S-[6-[2-(phenylmethyl)phenyl]hexyl] ethanethioate

Systemtic Name: S-[6-[2-(phenylmethyl)phenyl]hexyl] ethanethioate Openeye Name: S-[6-(2-benzylphenyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-[6-[2-(phenylmethyl)phenyl]hexyl] ester IUPAC Name: S-[6-(2-benzylphenyl)hexyl] ethanethioate Traditional Name: ethanethioic acid S-[6-(2-benzylphenyl)hexyl] ester Formula: C21H26OS MolecularWeight: 326.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCC1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCCCCCCC1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C21H26OS/c1-18(22)23-16-10-3-2-7-13-20-14-8-9-15-21(20)17-19-11-5-4-6-12-19/h4-6,8-9,11-12,14-15H,2-3,7,10,13,16-17H2,1H3