2-[[3,5-dimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[3,5-dimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[3,5-dimethyl-4-[(E)-3-oxobut-1-enyl]phenyl]methylsulfanyl]acetate CAS Name: 2-[[3,5-dimethyl-4-[(E)-3-oxobut-1-enyl]phenyl]methylthio]acetate IUPAC Name: 2-[[3,5-dimethyl-4-[(E)-3-oxobut-1-enyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-[(E)-3-ketobut-1-enyl]-3,5-dimethyl-benzyl]thio]acetate Formula: C15H17O3S- MolecularWeight: 277.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C=CC(=O)C)C)CSCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1/C=C/C(=O)C)C)CSCC(=O)[O-]

InChI

InChI=1S/C15H18O3S/c1-10-6-13(8-19-9-15(17)18)7-11(2)14(10)5-4-12(3)16/h4-7H,8-9H2,1-3H3,(H,17,18)/p-1/b5-4+