S-phenyl 2-(3-oxidanylpentan-3-yl)hexanethioate

Systemtic Name: S-phenyl 2-(3-oxidanylpentan-3-yl)hexanethioate Openeye Name: S-phenyl 2-(1-ethyl-1-hydroxy-propyl)hexanethioate CAS Name: 2-(3-hydroxypentan-3-yl)hexanethioic acid S-phenyl ester IUPAC Name: S-phenyl 2-(3-hydroxypentan-3-yl)hexanethioate Traditional Name: 2-(1-ethyl-1-hydroxy-propyl)hexanethioic acid S-phenyl ester Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)SC1=CC=CC=C1)C(CC)(CC)O

Isomeric SMILES

CCCCC(C(=O)SC1=CC=CC=C1)C(CC)(CC)O

InChI

InChI=1S/C17H26O2S/c1-4-7-13-15(17(19,5-2)6-3)16(18)20-14-11-9-8-10-12-14/h8-12,15,19H,4-7,13H2,1-3H3