[3-chloranyl-3-methyl-4-(2-methyl-5-oxidanylidene-2H-pyran-6-yl)butyl] ethanoate

Systemtic Name: [3-chloranyl-3-methyl-4-(2-methyl-5-oxidanylidene-2H-pyran-6-yl)butyl] ethanoate Openeye Name: [3-chloro-3-methyl-4-(2-methyl-5-oxo-2H-pyran-6-yl)butyl] acetate CAS Name: acetic acid [3-chloro-3-methyl-4-(2-methyl-5-oxo-2H-pyran-6-yl)butyl] ester IUPAC Name: [3-chloro-3-methyl-4-(2-methyl-5-oxo-2H-pyran-6-yl)butyl] acetate Traditional Name: acetic acid [3-chloro-4-(5-keto-2-methyl-2H-pyran-6-yl)-3-methyl-butyl] ester Formula: C13H19ClO4 MolecularWeight: 274.74056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=O)C(O1)CC(C)(CCOC(=O)C)Cl

Isomeric SMILES

CC1C=CC(=O)C(O1)CC(C)(CCOC(=O)C)Cl

InChI

InChI=1S/C13H19ClO4/c1-9-4-5-11(16)12(18-9)8-13(3,14)6-7-17-10(2)15/h4-5,9,12H,6-8H2,1-3H3