[(1S,4R)-3-chloranyl-4-methyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl] ethanoate

Systemtic Name: [(1S,4R)-3-chloranyl-4-methyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl] ethanoate Openeye Name: [(1S,4R)-3-chloro-4-hydroxy-4-methyl-cyclohexa-2,5-dien-1-yl] acetate CAS Name: acetic acid [(1S,4R)-3-chloro-4-hydroxy-4-methyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [(1S,4R)-3-chloro-4-hydroxy-4-methylcyclohexa-2,5-dien-1-yl] acetate Traditional Name: acetic acid [(1S,4R)-3-chloro-4-hydroxy-4-methyl-cyclohexa-2,5-dien-1-yl] ester Formula: C9H11ClO3 MolecularWeight: 202.63484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CC(C(=C1)Cl)(C)O

Isomeric SMILES

CC(=O)O[C@H]1C=C[C@@](C(=C1)Cl)(C)O

InChI

InChI=1S/C9H11ClO3/c1-6(11)13-7-3-4-9(2,12)8(10)5-7/h3-5,7,12H,1-2H3/t7-,9+/m0/s1