2-[(E)-3-(4-methoxyphenyl)but-2-enyl]-2-methyl-cyclopentane-1,3-dione

Systemtic Name: 2-[(E)-3-(4-methoxyphenyl)but-2-enyl]-2-methyl-cyclopentane-1,3-dione Openeye Name: 2-[(E)-3-(4-methoxyphenyl)but-2-enyl]-2-methyl-cyclopentane-1,3-dione CAS Name: 2-[(E)-3-(4-methoxyphenyl)but-2-enyl]-2-methylcyclopentane-1,3-dione IUPAC Name: 2-[(E)-3-(4-methoxyphenyl)but-2-enyl]-2-methylcyclopentane-1,3-dione Traditional Name: 2-[(E)-3-(4-methoxyphenyl)but-2-enyl]-2-methyl-cyclopentane-1,3-quinone Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1(C(=O)CCC1=O)C)C2=CC=C(C=C2)OC

Isomeric SMILES

C/C(=C\CC1(C(=O)CCC1=O)C)/C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H20O3/c1-12(13-4-6-14(20-3)7-5-13)10-11-17(2)15(18)8-9-16(17)19/h4-7,10H,8-9,11H2,1-3H3/b12-10+