(2S,3S)-2-but-3-enyl-3-methyl-cycloheptan-1-one

Systemtic Name: (2S,3S)-2-but-3-enyl-3-methyl-cycloheptan-1-one Openeye Name: (2S,3S)-2-but-3-enyl-3-methyl-cycloheptanone CAS Name: (2S,3S)-2-but-3-enyl-3-methyl-1-cycloheptanone IUPAC Name: (2S,3S)-2-but-3-enyl-3-methylcycloheptan-1-one Traditional Name: (2S,3S)-2-but-3-enyl-3-methyl-cycloheptanone Formula: C12H20O MolecularWeight: 180.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC(=O)C1CCC=C

Isomeric SMILES

C[C@H]1CCCCC(=O)[C@H]1CCC=C

InChI

InChI=1S/C12H20O/c1-3-4-8-11-10(2)7-5-6-9-12(11)13/h3,10-11H,1,4-9H2,2H3/t10-,11-/m0/s1