methyl 4-[(1S,2S)-2-chloranyl-1-oxidanyl-3-oxidanylidene-butyl]benzoate

Systemtic Name: methyl 4-[(1S,2S)-2-chloranyl-1-oxidanyl-3-oxidanylidene-butyl]benzoate Openeye Name: methyl 4-[(1S,2S)-2-chloro-1-hydroxy-3-oxo-butyl]benzoate CAS Name: 4-[(1S,2S)-2-chloro-1-hydroxy-3-oxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1S,2S)-2-chloro-1-hydroxy-3-oxobutyl]benzoate Traditional Name: 4-[(1S,2S)-2-chloro-1-hydroxy-3-keto-butyl]benzoic acid methyl ester Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO4/c1-7(14)10(13)11(15)8-3-5-9(6-4-8)12(16)17-2/h3-6,10-11,15H,1-2H3/t10-,11+/m1/s1