S-tert-butyl 2-methylhexanethioate

Systemtic Name: S-tert-butyl 2-methylhexanethioate Openeye Name: S-tert-butyl 2-methylhexanethioate CAS Name: 2-methylhexanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-methylhexanethioate Traditional Name: 2-methylhexanethioic acid S-tert-butyl ester Formula: C11H22OS MolecularWeight: 202.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)SC(C)(C)C

Isomeric SMILES

CCCCC(C)C(=O)SC(C)(C)C

InChI

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