hexyl 3-chloranyl-2-methyl-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: hexyl 3-chloranyl-2-methyl-2-oxidanyl-3-phenyl-propanoate Openeye Name: hexyl 3-chloro-2-hydroxy-2-methyl-3-phenyl-propanoate CAS Name: 3-chloro-2-hydroxy-2-methyl-3-phenylpropanoic acid hexyl ester IUPAC Name: hexyl 3-chloro-2-hydroxy-2-methyl-3-phenylpropanoate Traditional Name: 3-chloro-2-hydroxy-2-methyl-3-phenyl-propionic acid hexyl ester Formula: C16H23ClO3 MolecularWeight: 298.80502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClO3/c1-3-4-5-9-12-20-15(18)16(2,19)14(17)13-10-7-6-8-11-13/h6-8,10-11,14,19H,3-5,9,12H2,1-2H3