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

Systemtic Name: 2-[[3,5-dimethyl-2-[(E)-3-oxidanylidenebut-1-enyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3,5-dimethyl-2-[(E)-3-oxobut-1-enyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3,5-dimethyl-2-[(E)-3-oxobut-1-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3,5-dimethyl-2-[(E)-3-oxobut-1-enyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-[(E)-3-ketobut-1-enyl]-3,5-dimethyl-benzyl]thio]acetic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CSCC(=O)O)C=CC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CSCC(=O)O)/C=C/C(=O)C)C

InChI

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