[6-[(E)-3-chloranylbut-2-enyl]-6-methyl-5-oxidanylidene-cyclohexen-1-yl] ethanoate

Systemtic Name: [6-[(E)-3-chloranylbut-2-enyl]-6-methyl-5-oxidanylidene-cyclohexen-1-yl] ethanoate Openeye Name: [6-[(E)-3-chlorobut-2-enyl]-6-methyl-5-oxo-cyclohexen-1-yl] acetate CAS Name: acetic acid [6-[(E)-3-chlorobut-2-enyl]-6-methyl-5-oxo-1-cyclohexenyl] ester IUPAC Name: [6-[(E)-3-chlorobut-2-enyl]-6-methyl-5-oxocyclohexen-1-yl] acetate Traditional Name: acetic acid [6-[(E)-3-chlorobut-2-enyl]-5-keto-6-methyl-cyclohexen-1-yl] ester Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1(C(=O)CCC=C1OC(=O)C)C)Cl

Isomeric SMILES

C/C(=C\CC1(C(=O)CCC=C1OC(=O)C)C)/Cl

InChI

InChI=1S/C13H17ClO3/c1-9(14)7-8-13(3)11(16)5-4-6-12(13)17-10(2)15/h6-7H,4-5,8H2,1-3H3/b9-7+