[(2S,3S)-3-(5-chloranyl-2-methyl-pentan-2-yl)-5-oxidanylidene-oxan-2-yl] benzoate

Systemtic Name: [(2S,3S)-3-(5-chloranyl-2-methyl-pentan-2-yl)-5-oxidanylidene-oxan-2-yl] benzoate Openeye Name: [(2S,3S)-3-(4-chloro-1,1-dimethyl-butyl)-5-oxo-tetrahydropyran-2-yl] benzoate CAS Name: benzoic acid [(2S,3S)-3-(5-chloro-2-methylpentan-2-yl)-5-oxo-2-oxanyl] ester IUPAC Name: [(2S,3S)-3-(5-chloro-2-methylpentan-2-yl)-5-oxooxan-2-yl] benzoate Traditional Name: benzoic acid [(2S,3S)-3-(4-chloro-1,1-dimethyl-butyl)-5-keto-tetrahydropyran-2-yl] ester Formula: C18H23ClO4 MolecularWeight: 338.82582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCl)C1CC(=O)COC1OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCCl)[C@@H]1CC(=O)CO[C@H]1OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23ClO4/c1-18(2,9-6-10-19)15-11-14(20)12-22-17(15)23-16(21)13-7-4-3-5-8-13/h3-5,7-8,15,17H,6,9-12H2,1-2H3/t15-,17+/m1/s1