S-butyl 2-oxidanyl-2-phenyl-ethanethioate

Systemtic Name: S-butyl 2-oxidanyl-2-phenyl-ethanethioate Openeye Name: S-butyl 2-hydroxy-2-phenyl-ethanethioate CAS Name: 2-hydroxy-2-phenylethanethioic acid S-butyl ester IUPAC Name: S-butyl 2-hydroxy-2-phenylethanethioate Traditional Name: 2-hydroxy-2-phenyl-ethanethioic acid S-butyl ester Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)C(C1=CC=CC=C1)O

Isomeric SMILES

CCCCSC(=O)C(C1=CC=CC=C1)O

InChI

InChI=1S/C12H16O2S/c1-2-3-9-15-12(14)11(13)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3