S-[6-(2,4-dimethylphenyl)hexyl] ethanethioate

Systemtic Name: S-[6-(2,4-dimethylphenyl)hexyl] ethanethioate Openeye Name: S-[6-(2,4-dimethylphenyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-[6-(2,4-dimethylphenyl)hexyl] ester IUPAC Name: S-[6-(2,4-dimethylphenyl)hexyl] ethanethioate Traditional Name: ethanethioic acid S-[6-(2,4-dimethylphenyl)hexyl] ester Formula: C16H24OS MolecularWeight: 264.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCCCSC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCCCSC(=O)C)C

InChI

InChI=1S/C16H24OS/c1-13-9-10-16(14(2)12-13)8-6-4-5-7-11-18-15(3)17/h9-10,12H,4-8,11H2,1-3H3