S-ethyl 2-(chloromethyl)-3-oxidanyl-5-phenyl-pentanethioate

Systemtic Name: S-ethyl 2-(chloromethyl)-3-oxidanyl-5-phenyl-pentanethioate Openeye Name: S-ethyl 2-(chloromethyl)-3-hydroxy-5-phenyl-pentanethioate CAS Name: 2-(chloromethyl)-3-hydroxy-5-phenylpentanethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-(chloromethyl)-3-hydroxy-5-phenylpentanethioate Traditional Name: 2-(chloromethyl)-3-hydroxy-5-phenyl-pentanethioic acid S-ethyl ester Formula: C14H19ClO2S MolecularWeight: 286.81746

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CCl)C(CCC1=CC=CC=C1)O

Isomeric SMILES

CCSC(=O)C(CCl)C(CCC1=CC=CC=C1)O

InChI

InChI=1S/C14H19ClO2S/c1-2-18-14(17)12(10-15)13(16)9-8-11-6-4-3-5-7-11/h3-7,12-13,16H,2,8-10H2,1H3