methyl (2S,3R)-3-chloranyl-2-(4-methylphenyl)-2-oxidanyl-hexanoate

Systemtic Name: methyl (2S,3R)-3-chloranyl-2-(4-methylphenyl)-2-oxidanyl-hexanoate Openeye Name: methyl (2S,3R)-3-chloro-2-hydroxy-2-(p-tolyl)hexanoate CAS Name: (2S,3R)-3-chloro-2-hydroxy-2-(4-methylphenyl)hexanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-chloro-2-hydroxy-2-(4-methylphenyl)hexanoate Traditional Name: (2S,3R)-3-chloro-2-hydroxy-2-(p-tolyl)hexanoic acid methyl ester Formula: C14H19ClO3 MolecularWeight: 270.75186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO3/c1-4-5-12(15)14(17,13(16)18-3)11-8-6-10(2)7-9-11/h6-9,12,17H,4-5H2,1-3H3/t12-,14-/m1/s1