2-[(E)-4-[(2S)-oxiran-2-yl]but-3-enyl]cycloheptan-1-one

Systemtic Name: 2-[(E)-4-[(2S)-oxiran-2-yl]but-3-enyl]cycloheptan-1-one Openeye Name: 2-[(E)-4-[(2S)-oxiran-2-yl]but-3-enyl]cycloheptanone CAS Name: 2-[(E)-4-[(2S)-2-oxiranyl]but-3-enyl]-1-cycloheptanone IUPAC Name: 2-[(E)-4-[(2S)-oxiran-2-yl]but-3-enyl]cycloheptan-1-one Traditional Name: 2-[(E)-4-[(2S)-oxiran-2-yl]but-3-enyl]cycloheptanone Formula: C13H20O2 MolecularWeight: 208.2967

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)CCC=CC2CO2

Isomeric SMILES

C1CCC(C(=O)CC1)CC/C=C/[C@H]2CO2

InChI

InChI=1S/C13H20O2/c14-13-9-3-1-2-6-11(13)7-4-5-8-12-10-15-12/h5,8,11-12H,1-4,6-7,9-10H2/b8-5+/t11?,12-/m0/s1