[(E,3R)-7-chloranyl-3-oxidanyl-5-oxidanylidene-hept-6-enyl] benzoate

Systemtic Name: [(E,3R)-7-chloranyl-3-oxidanyl-5-oxidanylidene-hept-6-enyl] benzoate Openeye Name: [(E,3R)-7-chloro-3-hydroxy-5-oxo-hept-6-enyl] benzoate CAS Name: benzoic acid [(E,3R)-7-chloro-3-hydroxy-5-oxohept-6-enyl] ester IUPAC Name: [(E,3R)-7-chloro-3-hydroxy-5-oxohept-6-enyl] benzoate Traditional Name: benzoic acid [(E,3R)-7-chloro-3-hydroxy-5-keto-hept-6-enyl] ester Formula: C14H15ClO4 MolecularWeight: 282.7195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC(CC(=O)C=CCl)O

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClO4/c15-8-6-12(16)10-13(17)7-9-19-14(18)11-4-2-1-3-5-11/h1-6,8,13,17H,7,9-10H2/b8-6+/t13-/m1/s1