S-ethyl 3,5,5-trimethylhexanethioate

Systemtic Name: S-ethyl 3,5,5-trimethylhexanethioate Openeye Name: S-ethyl 3,5,5-trimethylhexanethioate CAS Name: 3,5,5-trimethylhexanethioic acid S-ethyl ester IUPAC Name: S-ethyl 3,5,5-trimethylhexanethioate Traditional Name: 3,5,5-trimethylhexanethioic acid S-ethyl ester Formula: C11H22OS MolecularWeight: 202.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCSC(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C11H22OS/c1-6-13-10(12)7-9(2)8-11(3,4)5/h9H,6-8H2,1-5H3