methyl (E)-6-[2-[(E)-3-oxidanylidenebut-1-enyl]phenyl]hex-5-enoate

Systemtic Name: methyl (E)-6-[2-[(E)-3-oxidanylidenebut-1-enyl]phenyl]hex-5-enoate Openeye Name: methyl (E)-6-[2-[(E)-3-oxobut-1-enyl]phenyl]hex-5-enoate CAS Name: (E)-6-[2-[(E)-3-oxobut-1-enyl]phenyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[2-[(E)-3-oxobut-1-enyl]phenyl]hex-5-enoate Traditional Name: (E)-6-[2-[(E)-3-ketobut-1-enyl]phenyl]hex-5-enoic acid methyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=CC=C1C=CCCCC(=O)OC

Isomeric SMILES

CC(=O)/C=C/C1=CC=CC=C1/C=C/CCCC(=O)OC

InChI

InChI=1S/C17H20O3/c1-14(18)12-13-16-10-7-6-9-15(16)8-4-3-5-11-17(19)20-2/h4,6-10,12-13H,3,5,11H2,1-2H3/b8-4+,13-12+