S-phenyl (E)-2,5,5-trimethylhex-3-enethioate

Systemtic Name: S-phenyl (E)-2,5,5-trimethylhex-3-enethioate Openeye Name: S-phenyl (E)-2,5,5-trimethylhex-3-enethioate CAS Name: (E)-2,5,5-trimethyl-3-hexenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-2,5,5-trimethylhex-3-enethioate Traditional Name: (E)-2,5,5-trimethylhex-3-enethioic acid S-phenyl ester Formula: C15H20OS MolecularWeight: 248.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20OS/c1-12(10-11-15(2,3)4)14(16)17-13-8-6-5-7-9-13/h5-12H,1-4H3/b11-10+