O-(3,3-dimethyl-2-oxidanyl-butyl) (phenylmethylsulfanyl)methanethioate

Systemtic Name: O-(3,3-dimethyl-2-oxidanyl-butyl) (phenylmethylsulfanyl)methanethioate Openeye Name: O-(2-hydroxy-3,3-dimethyl-butyl) benzylsulfanylmethanethioate CAS Name: (phenylmethylthio)methanethioic acid O-(2-hydroxy-3,3-dimethylbutyl) ester IUPAC Name: O-(2-hydroxy-3,3-dimethylbutyl) benzylsulfanylmethanethioate Traditional Name: (benzylthio)methanethioic acid O-(2-hydroxy-3,3-dimethyl-butyl) ester Formula: C14H20O2S2 MolecularWeight: 284.4374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(COC(=S)SCC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(C)C(COC(=S)SCC1=CC=CC=C1)O

InChI

InChI=1S/C14H20O2S2/c1-14(2,3)12(15)9-16-13(17)18-10-11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3