[(1R,2R)-2-[(E)-3-chloranylbut-2-enyl]-2-methyl-3-oxidanylidene-cyclohexyl] ethanoate

Systemtic Name: [(1R,2R)-2-[(E)-3-chloranylbut-2-enyl]-2-methyl-3-oxidanylidene-cyclohexyl] ethanoate Openeye Name: [(1R,2R)-2-[(E)-3-chlorobut-2-enyl]-2-methyl-3-oxo-cyclohexyl] acetate CAS Name: acetic acid [(1R,2R)-2-[(E)-3-chlorobut-2-enyl]-2-methyl-3-oxocyclohexyl] ester IUPAC Name: [(1R,2R)-2-[(E)-3-chlorobut-2-enyl]-2-methyl-3-oxocyclohexyl] acetate Traditional Name: acetic acid [(1R,2R)-2-[(E)-3-chlorobut-2-enyl]-3-keto-2-methyl-cyclohexyl] ester Formula: C13H19ClO3 MolecularWeight: 258.74116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1(C(CCCC1=O)OC(=O)C)C)Cl

Isomeric SMILES

C/C(=C\C[C@@]1([C@@H](CCCC1=O)OC(=O)C)C)/Cl

InChI

InChI=1S/C13H19ClO3/c1-9(14)7-8-13(3)11(16)5-4-6-12(13)17-10(2)15/h7,12H,4-6,8H2,1-3H3/b9-7+/t12-,13+/m1/s1