S-phenyl (E)-2,4,5-trimethylhex-3-enethioate

Systemtic Name: S-phenyl (E)-2,4,5-trimethylhex-3-enethioate Openeye Name: S-phenyl (E)-2,4,5-trimethylhex-3-enethioate CAS Name: (E)-2,4,5-trimethyl-3-hexenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-2,4,5-trimethylhex-3-enethioate Traditional Name: (E)-2,4,5-trimethylhex-3-enethioic acid S-phenyl ester Formula: C15H20OS MolecularWeight: 248.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20OS/c1-11(2)12(3)10-13(4)15(16)17-14-8-6-5-7-9-14/h5-11,13H,1-4H3/b12-10+