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

Systemtic Name: pentyl 3-chloranyl-2-methyl-2-oxidanyl-3-phenyl-propanoate Openeye Name: pentyl 3-chloro-2-hydroxy-2-methyl-3-phenyl-propanoate CAS Name: 3-chloro-2-hydroxy-2-methyl-3-phenylpropanoic acid pentyl ester IUPAC Name: pentyl 3-chloro-2-hydroxy-2-methyl-3-phenylpropanoate Traditional Name: 3-chloro-2-hydroxy-2-methyl-3-phenyl-propionic acid amyl ester Formula: C15H21ClO3 MolecularWeight: 284.77844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO3/c1-3-4-8-11-19-14(17)15(2,18)13(16)12-9-6-5-7-10-12/h5-7,9-10,13,18H,3-4,8,11H2,1-2H3