[(2S,3S)-1-chloranyl-3-methoxy-5-methyl-1-oxidanylidene-hex-5-en-2-yl] benzoate

Systemtic Name: [(2S,3S)-1-chloranyl-3-methoxy-5-methyl-1-oxidanylidene-hex-5-en-2-yl] benzoate Openeye Name: [(1S,2S)-1-chlorocarbonyl-2-methoxy-4-methyl-pent-4-enyl] benzoate CAS Name: benzoic acid [(2S,3S)-1-chloro-3-methoxy-5-methyl-1-oxohex-5-en-2-yl] ester IUPAC Name: [(2S,3S)-1-chloro-3-methoxy-5-methyl-1-oxohex-5-en-2-yl] benzoate Traditional Name: benzoic acid [(1S,2S)-1-chlorocarbonyl-2-methoxy-4-methyl-pent-4-enyl] ester Formula: C15H17ClO4 MolecularWeight: 296.74608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClO4/c1-10(2)9-12(19-3)13(14(16)17)20-15(18)11-7-5-4-6-8-11/h4-8,12-13H,1,9H2,2-3H3/t12-,13-/m0/s1