methyl (2S,3R)-3-chloranyl-2-(4-ethylphenyl)-2-oxidanyl-octanoate

Systemtic Name: methyl (2S,3R)-3-chloranyl-2-(4-ethylphenyl)-2-oxidanyl-octanoate Openeye Name: methyl (2S,3R)-3-chloro-2-(4-ethylphenyl)-2-hydroxy-octanoate CAS Name: (2S,3R)-3-chloro-2-(4-ethylphenyl)-2-hydroxyoctanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-chloro-2-(4-ethylphenyl)-2-hydroxyoctanoate Traditional Name: (2S,3R)-3-chloro-2-(4-ethylphenyl)-2-hydroxy-caprylic acid methyl ester Formula: C17H25ClO3 MolecularWeight: 312.8316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClO3/c1-4-6-7-8-15(18)17(20,16(19)21-3)14-11-9-13(5-2)10-12-14/h9-12,15,20H,4-8H2,1-3H3/t15-,17-/m1/s1